(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid

C34H28Cl2N4O5 — CID 159537945

IUPAC(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
SMILESNCc1ccc(Cl)cc1.O=C(NCc1ccc(Cl)cc1)c1ccc2cccnc2c1O.O=C(O)c1ccc2cccnc2c1O
InChIInChI=1S/C17H13ClN2O2.C10H7NO3.C7H8ClN/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;8-7-3-1-6(5-9)2-4-7/h1-9,21H,10H2,(H,20,22);1-5,12H,(H,13,14);1-4H,5,9H2
InChIKeyMDVHNYJMFWYGCX-UHFFFAOYSA-N
MW643.53 g/mol
LogP6.96
Rot. Bonds5

About (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid

(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid (PubChem CID 159537945) has the molecular formula C34H28Cl2N4O5 and a molecular weight of 643.53 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
PubChem CID159537945
Molecular FormulaC34H28Cl2N4O5
Molecular Weight643.53 g/mol
Exact Mass642.14
IUPAC Name(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
SMILESNCc1ccc(Cl)cc1.O=C(NCc1ccc(Cl)cc1)c1ccc2cccnc2c1O.O=C(O)c1ccc2cccnc2c1O
InChIInChI=1S/C17H13ClN2O2.C10H7NO3.C7H8ClN/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;8-7-3-1-6(5-9)2-4-7/h1-9,21H,10H2,(H,20,22);1-5,12H,(H,13,14);1-4H,5,9H2
InChIKeyMDVHNYJMFWYGCX-UHFFFAOYSA-N
XLogP6.96
TPSA158.66 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.53
LogP ≤ 56.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
CID 54063603
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide
CID 174777313
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid?
The IUPAC name of (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid (CID 159537945) is (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid.
What is the SMILES notation for (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid?
The canonical SMILES for (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid is NCc1ccc(Cl)cc1.O=C(NCc1ccc(Cl)cc1)c1ccc2cccnc2c1O.O=C(O)c1ccc2cccnc2c1O.
What is the InChIKey of (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid?
The InChIKey is MDVHNYJMFWYGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2.C10H7NO3.C7H8ClN/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;8-7-3-1-6(5-9)2-4-7/h1-9,21H,10H2,(H,20,22);1-5,12H,(H,13,14);1-4H,5,9H2.
What are the key properties of (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid?
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid has a molecular weight of 643.53 g/mol, XLogP of 6.96, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid is sourced from PubChem (CID 159537945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).