4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride

C87H103Cl9N17O14P — CID 158553558

About 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride

4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride (PubChem CID 158553558) has the molecular formula C87H103Cl9N17O14P and a molecular weight of 1960.94 g/mol. Its IUPAC name is 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride.

Molecular Properties

• Compound Name: 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride
• PubChem CID: 158553558
• Molecular Formula: C87H103Cl9N17O14P
• Molecular Weight: 1960.94 g/mol
• Exact Mass: 1955.48
• IUPAC Name: 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride
• SMILES: CC(C)(C)OC(=O)NCCCCN.CCCCC(=O)Cl.CCCCc1nc2c(Cl)nc3ccccc3c2n1CCCCN.NCCCCCc1c(N)c(Cl)nc2ccccc12.NCCCCCc1c([N+](=O)[O-])c(Cl)nc2ccccc12.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.O=c1[nH]c2ccccc2c(O)c1[N+](=O)[O-].O=c1cc(O)c2ccccc2[nH]1
• InChI: InChI=1S/C18H23ClN4.C14H16ClN3O2.C14H18ClN3.C9H4Cl2N2O2.C9H6N2O4.C9H20N2O2.C9H7NO2.C5H9ClO.Cl3OP/c1-2-3-10-15-22-16-17(23(15)12-7-6-11-20)13-8-4-5-9-14(13)21-18(16)19;15-14-13(18(19)20)11(7-2-1-5-9-16)10-6-3-4-8-12(10)17-14;15-14-13(17)11(7-2-1-5-9-16)10-6-3-4-8-12(10)18-14;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15;1-9(2,3)13-8(12)11-7-5-4-6-10;11-8-5-9(12)10-7-4-2-1-3-6(7)8;1-2-3-4-5(6)7;1-5(2,3)4/h4-5,8-9H,2-3,6-7,10-12,20H2,1H3;3-4,6,8H,1-2,5,7,9,16H2;3-4,6,8H,1-2,5,7,9,16-17H2;1-4H;1-4H,(H2,10,12,13);4-7,10H2,1-3H3,(H,11,12);1-5H,(H2,10,11,12);2-4H2,1H3
• InChIKey: HPZXQMCSINFBFW-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 507.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.94
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride?

The IUPAC name of 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride (CID 158553558) is 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride.

What is the SMILES notation for 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride?

The canonical SMILES for 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride is CC(C)(C)OC(=O)NCCCCN.CCCCC(=O)Cl.CCCCc1nc2c(Cl)nc3ccccc3c2n1CCCCN.NCCCCCc1c(N)c(Cl)nc2ccccc12.NCCCCCc1c([N+](=O)[O-])c(Cl)nc2ccccc12.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.O=c1[nH]c2ccccc2c(O)c1[N+](=O)[O-].O=c1cc(O)c2ccccc2[nH]1.

What is the InChIKey of 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride?

The InChIKey is HPZXQMCSINFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4.C14H16ClN3O2.C14H18ClN3.C9H4Cl2N2O2.C9H6N2O4.C9H20N2O2.C9H7NO2.C5H9ClO.Cl3OP/c1-2-3-10-15-22-16-17(23(15)12-7-6-11-20)13-8-4-5-9-14(13)21-18(16)19;15-14-13(18(19)20)11(7-2-1-5-9-16)10-6-3-4-8-12(10)17-14;15-14-13(17)11(7-2-1-5-9-16)10-6-3-4-8-12(10)18-14;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15;1-9(2,3)13-8(12)11-7-5-4-6-10;11-8-5-9(12)10-7-4-2-1-3-6(7)8;1-2-3-4-5(6)7;1-5(2,3)4/h4-5,8-9H,2-3,6-7,10-12,20H2,1H3;3-4,6,8H,1-2,5,7,9,16H2;3-4,6,8H,1-2,5,7,9,16-17H2;1-4H;1-4H,(H2,10,12,13);4-7,10H2,1-3H3,(H,11,12);1-5H,(H2,10,11,12);2-4H2,1H3;.

What are the key properties of 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride?

4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride has a molecular weight of 1960.94 g/mol, XLogP of 22.76, 27 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-aminopentyl)-2-chloroquinolin-3-amine;tert-butyl N-(4-aminobutyl)carbamate;4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine;5-(2-chloro-3-nitroquinolin-4-yl)pentan-1-amine;2,4-dichloro-3-nitroquinoline;4-hydroxy-3-nitro-1H-quinolin-2-one;4-hydroxy-1H-quinolin-2-one;pentanoyl chloride;phosphoryl trichloride is sourced from PubChem (CID 158553558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).