N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide

C23H20N4O2 — CID 45099957

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cncnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-8-6-16(7-9-18)10-11-26-23(28)20-12-22(17-13-24-15-25-14-17)27-21-5-3-2-4-19(20)21/h2-9,12-15H,10-11H2,1H3,(H,26,28)
InChIKeyAVTBCPPRCFKRKB-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide (PubChem CID 45099957) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
PubChem CID45099957
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cncnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-8-6-16(7-9-18)10-11-26-23(28)20-12-22(17-13-24-15-25-14-17)27-21-5-3-2-4-19(20)21/h2-9,12-15H,10-11H2,1H3,(H,26,28)
InChIKeyAVTBCPPRCFKRKB-UHFFFAOYSA-N
XLogP3.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide (CID 45099957) is N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3cncnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide?
The InChIKey is AVTBCPPRCFKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-18-8-6-16(7-9-18)10-11-26-23(28)20-12-22(17-13-24-15-25-14-17)27-21-5-3-2-4-19(20)21/h2-9,12-15H,10-11H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide is sourced from PubChem (CID 45099957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).