7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide

C52H46ClN9O4 — CID 163764901

IUPAC7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide
SMILESCOc1ccc2ccc(C(=O)Nc3ccc(C)cn3)nc2c1.Cc1ccc(NC(=O)c2ccc3ccc(C(C)C)cc3n2)nc1.Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)nc1
InChIInChI=1S/C19H19N3O.C17H15N3O2.C16H12ClN3O/c1-12(2)15-6-5-14-7-8-16(21-17(14)10-15)19(23)22-18-9-4-13(3)11-20-18;1-11-3-8-16(18-10-11)20-17(21)14-7-5-12-4-6-13(22-2)9-15(12)19-14;1-10-2-7-15(18-9-10)20-16(21)13-6-4-11-3-5-12(17)8-14(11)19-13/h4-12H,1-3H3,(H,20,22,23);3-10H,1-2H3,(H,18,20,21);2-9H,1H3,(H,18,20,21)
InChIKeyMBKHVNRDHOHKMK-UHFFFAOYSA-N
MW896.45 g/mol
LogP11.36
Rot. Bonds8

About 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide

7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide (PubChem CID 163764901) has the molecular formula C52H46ClN9O4 and a molecular weight of 896.45 g/mol. Its IUPAC name is 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide
PubChem CID163764901
Molecular FormulaC52H46ClN9O4
Molecular Weight896.45 g/mol
Exact Mass895.34
IUPAC Name7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide
SMILESCOc1ccc2ccc(C(=O)Nc3ccc(C)cn3)nc2c1.Cc1ccc(NC(=O)c2ccc3ccc(C(C)C)cc3n2)nc1.Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)nc1
InChIInChI=1S/C19H19N3O.C17H15N3O2.C16H12ClN3O/c1-12(2)15-6-5-14-7-8-16(21-17(14)10-15)19(23)22-18-9-4-13(3)11-20-18;1-11-3-8-16(18-10-11)20-17(21)14-7-5-12-4-6-13(22-2)9-15(12)19-14;1-10-2-7-15(18-9-10)20-16(21)13-6-4-11-3-5-12(17)8-14(11)19-13/h4-12H,1-3H3,(H,20,22,23);3-10H,1-2H3,(H,18,20,21);2-9H,1H3,(H,18,20,21)
InChIKeyMBKHVNRDHOHKMK-UHFFFAOYSA-N
XLogP11.36
TPSA173.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.45
LogP ≤ 511.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide (CID 163764901) is 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide is COc1ccc2ccc(C(=O)Nc3ccc(C)cn3)nc2c1.Cc1ccc(NC(=O)c2ccc3ccc(C(C)C)cc3n2)nc1.Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)nc1.
What is the InChIKey of 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide?
The InChIKey is MBKHVNRDHOHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C17H15N3O2.C16H12ClN3O/c1-12(2)15-6-5-14-7-8-16(21-17(14)10-15)19(23)22-18-9-4-13(3)11-20-18;1-11-3-8-16(18-10-11)20-17(21)14-7-5-12-4-6-13(22-2)9-15(12)19-14;1-10-2-7-15(18-9-10)20-16(21)13-6-4-11-3-5-12(17)8-14(11)19-13/h4-12H,1-3H3,(H,20,22,23);3-10H,1-2H3,(H,18,20,21);2-9H,1H3,(H,18,20,21).
What are the key properties of 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide?
7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide has a molecular weight of 896.45 g/mol, XLogP of 11.36, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;7-methoxy-N-(5-methyl-2-pyridinyl)quinoline-2-carboxamide;N-(5-methyl-2-pyridinyl)-7-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 163764901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).