N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C28H29N5O2 — CID 2126848

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C28H29N5O2/c1-3-33(4-2)18-17-30-27(34)21-9-11-22(12-10-21)31-28(35)24-19-26(20-13-15-29-16-14-20)32-25-8-6-5-7-23(24)25/h5-16,19H,3-4,17-18H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyQZXSTQQPLVADHR-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.62
Rot. Bonds9

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2126848) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2126848
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C28H29N5O2/c1-3-33(4-2)18-17-30-27(34)21-9-11-22(12-10-21)31-28(35)24-19-26(20-13-15-29-16-14-20)32-25-8-6-5-7-23(24)25/h5-16,19H,3-4,17-18H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyQZXSTQQPLVADHR-UHFFFAOYSA-N
XLogP4.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 2126848) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is QZXSTQQPLVADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-3-33(4-2)18-17-30-27(34)21-9-11-22(12-10-21)31-28(35)24-19-26(20-13-15-29-16-14-20)32-25-8-6-5-7-23(24)25/h5-16,19H,3-4,17-18H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).