6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid

C25H22ClN5O3 — CID 118665155

IUPAC6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H22ClN5O3/c1-13-5-22(27)31-14(2)21(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)25(33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)(H,33,34)
InChIKeyBVAYWMZNSZGAMT-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.10
Rot. Bonds6

About 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid (PubChem CID 118665155) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid
PubChem CID118665155
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H22ClN5O3/c1-13-5-22(27)31-14(2)21(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)25(33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)(H,33,34)
InChIKeyBVAYWMZNSZGAMT-UHFFFAOYSA-N
XLogP4.10
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid?
The IUPAC name of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid (CID 118665155) is 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid.
What is the SMILES notation for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid?
The canonical SMILES for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid?
The InChIKey is BVAYWMZNSZGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-13-5-22(27)31-14(2)21(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)25(33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)(H,33,34).
What are the key properties of 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid?
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid has a molecular weight of 475.94 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid is sourced from PubChem (CID 118665155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).