1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one

C110H93Cl5N26O7 — CID 158415909

IUPAC1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one
SMILESCC(N=[N+]=[N-])c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.CC(O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.COC(C)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1
InChIInChI=1S/2C23H19ClN4O.C22H20ClN5O2.C21H17ClN8O.C21H18ClN5O2/c2*24-20-11-15(13-26-23(20)28-9-3-8-27-28)10-18(29)12-17-14-25-21-5-2-1-4-19(21)22(17)16-6-7-16;1-14(30-2)21-16(13-24-20-6-4-3-5-18(20)21)11-17(29)9-15-10-19(23)22(25-12-15)28-26-7-8-27-28;1-13(28-29-23)20-15(12-24-19-5-3-2-4-17(19)20)10-16(31)8-14-9-18(22)21(25-11-14)30-26-6-7-27-30;1-13(28)20-15(12-23-19-5-3-2-4-17(19)20)10-16(29)8-14-9-18(22)21(24-11-14)27-25-6-7-26-27/h2*1-5,8-9,11,13-14,16H,6-7,10,12H2;3-8,10,12-14H,9,11H2,1-2H3;2-7,9,11-13H,8,10H2,1H3;2-7,9,11-13,28H,8,10H2,1H3
InChIKeyGZWUUUZIEYPOLD-UHFFFAOYSA-N
MW2068.39 g/mol
LogP21.19
Rot. Bonds32

About 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one

1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one (PubChem CID 158415909) has the molecular formula C110H93Cl5N26O7 and a molecular weight of 2068.39 g/mol. Its IUPAC name is 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one
PubChem CID158415909
Molecular FormulaC110H93Cl5N26O7
Molecular Weight2068.39 g/mol
Exact Mass2064.62
IUPAC Name1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one
SMILESCC(N=[N+]=[N-])c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.CC(O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.COC(C)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1
InChIInChI=1S/2C23H19ClN4O.C22H20ClN5O2.C21H17ClN8O.C21H18ClN5O2/c2*24-20-11-15(13-26-23(20)28-9-3-8-27-28)10-18(29)12-17-14-25-21-5-2-1-4-19(21)22(17)16-6-7-16;1-14(30-2)21-16(13-24-20-6-4-3-5-18(20)21)11-17(29)9-15-10-19(23)22(25-12-15)28-26-7-8-27-28;1-13(28-29-23)20-15(12-24-19-5-3-2-4-17(19)20)10-16(31)8-14-9-18(22)21(25-11-14)30-26-6-7-27-30;1-13(28)20-15(12-23-19-5-3-2-4-17(19)20)10-16(29)8-14-9-18(22)21(24-11-14)27-25-6-7-26-27/h2*1-5,8-9,11,13-14,16H,6-7,10,12H2;3-8,10,12-14H,9,11H2,1-2H3;2-7,9,11-13H,8,10H2,1H3;2-7,9,11-13,28H,8,10H2,1H3
InChIKeyGZWUUUZIEYPOLD-UHFFFAOYSA-N
XLogP21.19
TPSA420.24 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002068.39
LogP ≤ 521.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one?
The IUPAC name of 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one (CID 158415909) is 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one?
The canonical SMILES for 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one is CC(N=[N+]=[N-])c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.CC(O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.COC(C)c1c(CC(=O)Cc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1.O=C(Cc1cnc(-n2cccn2)c(Cl)c1)Cc1cnc2ccccc2c1C1CC1.
What is the InChIKey of 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one?
The InChIKey is GZWUUUZIEYPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19ClN4O.C22H20ClN5O2.C21H17ClN8O.C21H18ClN5O2/c2*24-20-11-15(13-26-23(20)28-9-3-8-27-28)10-18(29)12-17-14-25-21-5-2-1-4-19(21)22(17)16-6-7-16;1-14(30-2)21-16(13-24-20-6-4-3-5-18(20)21)11-17(29)9-15-10-19(23)22(25-12-15)28-26-7-8-27-28;1-13(28-29-23)20-15(12-24-19-5-3-2-4-17(19)20)10-16(31)8-14-9-18(22)21(25-11-14)30-26-6-7-27-30;1-13(28)20-15(12-23-19-5-3-2-4-17(19)20)10-16(29)8-14-9-18(22)21(24-11-14)27-25-6-7-26-27/h2*1-5,8-9,11,13-14,16H,6-7,10,12H2;3-8,10,12-14H,9,11H2,1-2H3;2-7,9,11-13H,8,10H2,1H3;2-7,9,11-13,28H,8,10H2,1H3.
What are the key properties of 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one?
1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one has a molecular weight of 2068.39 g/mol, XLogP of 21.19, 32 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-azidoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(4-cyclopropylquinolin-3-yl)propan-2-one);1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-hydroxyethyl)quinolin-3-yl]propan-2-one;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-methoxyethyl)quinolin-3-yl]propan-2-one is sourced from PubChem (CID 158415909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).