6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

C26H23ClN4O — CID 18436120

IUPAC6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C26H23ClN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(H,30,32)
InChIKeyCCQQMKPBDIACQQ-UHFFFAOYSA-N
MW442.95 g/mol
LogP5.80
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (PubChem CID 18436120) has the molecular formula C26H23ClN4O and a molecular weight of 442.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
PubChem CID18436120
Molecular FormulaC26H23ClN4O
Molecular Weight442.95 g/mol
Exact Mass442.16
IUPAC Name6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C26H23ClN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(H,30,32)
InChIKeyCCQQMKPBDIACQQ-UHFFFAOYSA-N
XLogP5.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (CID 18436120) is 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is CCQQMKPBDIACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(H,30,32).
What are the key properties of 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 18436120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).