5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one

C22H20ClN5O — CID 44530153

IUPAC5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CNc2nc(NCCc3ccccc3)nc3ccc(Cl)cc23)c[nH]1
InChIInChI=1S/C22H20ClN5O/c23-17-7-8-19-18(12-17)21(26-14-16-6-9-20(29)25-13-16)28-22(27-19)24-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,25,29)(H2,24,26,27,28)
InChIKeyGXAFYGLBIIEQPE-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.24
Rot. Bonds7

About 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one

5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one (PubChem CID 44530153) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one
PubChem CID44530153
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CNc2nc(NCCc3ccccc3)nc3ccc(Cl)cc23)c[nH]1
InChIInChI=1S/C22H20ClN5O/c23-17-7-8-19-18(12-17)21(26-14-16-6-9-20(29)25-13-16)28-22(27-19)24-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,25,29)(H2,24,26,27,28)
InChIKeyGXAFYGLBIIEQPE-UHFFFAOYSA-N
XLogP4.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
N-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
CID 9974694
(2E)-3-(3-Chlorophenyl)-N-[2-(4-ethylpiperazin-1-YL)-4-methylquinolin-6-YL]prop-2-enamide
CID 15987648
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
5-(4-((3-Chlorobenzyl)amino)-2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)quinazolin-6-yl)-1-methylpyridin-2(1H)-one
CID 129182189
N-[4-(3-Chloro-phenylamino)-quinazolin-7-yl]-acrylamide
CID 10520057
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
(4-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10359377
(3-{[2-(4-Chlorophenyl)quinazolin-4-yl]amino}propyl)diethylamine
CID 1591101
Diarylurea 3
CID 2824466
N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride
CID 2953146

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one (CID 44530153) is 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one is O=c1ccc(CNc2nc(NCCc3ccccc3)nc3ccc(Cl)cc23)c[nH]1.
What is the InChIKey of 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is GXAFYGLBIIEQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-17-7-8-19-18(12-17)21(26-14-16-6-9-20(29)25-13-16)28-22(27-19)24-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,25,29)(H2,24,26,27,28).
What are the key properties of 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one?
5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 405.89 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-chloro-2-(2-phenylethylamino)quinazolin-4-yl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 44530153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).