3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide

C31H22ClN5O3 — CID 69439509

IUPAC3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide
SMILESO=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccnc2ccccc12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C31H22ClN5O3/c32-25-18-34-27-17-19(8-13-24(25)27)30(39)36-29(23-14-15-33-26-6-2-1-5-22(23)26)31(40)35-20-9-11-21(12-10-20)37-16-4-3-7-28(37)38/h1-18,29,34H,(H,35,40)(H,36,39)
InChIKeyPNHHHECNJDPBAR-UHFFFAOYSA-N
MW548.00 g/mol
LogP5.63
Rot. Bonds6

About 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide

3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide (PubChem CID 69439509) has the molecular formula C31H22ClN5O3 and a molecular weight of 548.00 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide
PubChem CID69439509
Molecular FormulaC31H22ClN5O3
Molecular Weight548.00 g/mol
Exact Mass547.14
IUPAC Name3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide
SMILESO=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccnc2ccccc12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C31H22ClN5O3/c32-25-18-34-27-17-19(8-13-24(25)27)30(39)36-29(23-14-15-33-26-6-2-1-5-22(23)26)31(40)35-20-9-11-21(12-10-20)37-16-4-3-7-28(37)38/h1-18,29,34H,(H,35,40)(H,36,39)
InChIKeyPNHHHECNJDPBAR-UHFFFAOYSA-N
XLogP5.63
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.00
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide (CID 69439509) is 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide is O=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccnc2ccccc12)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide?
The InChIKey is PNHHHECNJDPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClN5O3/c32-25-18-34-27-17-19(8-13-24(25)27)30(39)36-29(23-14-15-33-26-6-2-1-5-22(23)26)31(40)35-20-9-11-21(12-10-20)37-16-4-3-7-28(37)38/h1-18,29,34H,(H,35,40)(H,36,39).
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide?
3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide has a molecular weight of 548.00 g/mol, XLogP of 5.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-quinolin-4-ylethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69439509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).