6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C26H21ClN4O3 — CID 2220569

IUPAC6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C26H21ClN4O3/c27-19-5-8-23-21(14-19)22(15-24(30-23)18-2-1-9-28-16-18)25(32)29-20-6-3-17(4-7-20)26(33)31-10-12-34-13-11-31/h1-9,14-16H,10-13H2,(H,29,32)
InChIKeyXURFLGDWWKVLDR-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2220569) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2220569
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C26H21ClN4O3/c27-19-5-8-23-21(14-19)22(15-24(30-23)18-2-1-9-28-16-18)25(32)29-20-6-3-17(4-7-20)26(33)31-10-12-34-13-11-31/h1-9,14-16H,10-13H2,(H,29,32)
InChIKeyXURFLGDWWKVLDR-UHFFFAOYSA-N
XLogP4.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2220569) is 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XURFLGDWWKVLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c27-19-5-8-23-21(14-19)22(15-24(30-23)18-2-1-9-28-16-18)25(32)29-20-6-3-17(4-7-20)26(33)31-10-12-34-13-11-31/h1-9,14-16H,10-13H2,(H,29,32).
What are the key properties of 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(morpholine-4-carbonyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).