4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide

C23H19ClN4O — CID 155550395

IUPAC4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
InChIKeyKZJLHYQNEJSYNN-CQSZACIVSA-N
MW402.89 g/mol
LogP5.22
Rot. Bonds5

About 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide

4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 155550395) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide
PubChem CID155550395
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
InChIKeyKZJLHYQNEJSYNN-CQSZACIVSA-N
XLogP5.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide (CID 155550395) is 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide is C[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is KZJLHYQNEJSYNN-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1.
What are the key properties of 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide?
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 155550395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).