6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one

C23H25ClN4O3 — CID 24743293

IUPAC6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one
SMILESO=c1c2nc(NC3CCOCC3)ncc2cc(-c2ccccc2Cl)n1CC1CCCO1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20-12-15-13-25-23(26-16-7-10-30-11-8-16)27-21(15)22(29)28(20)14-17-4-3-9-31-17/h1-2,5-6,12-13,16-17H,3-4,7-11,14H2,(H,25,26,27)
InChIKeyJNBALFCDDKBILB-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.88
Rot. Bonds5

About 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one

6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one (PubChem CID 24743293) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one
PubChem CID24743293
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one
SMILESO=c1c2nc(NC3CCOCC3)ncc2cc(-c2ccccc2Cl)n1CC1CCCO1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20-12-15-13-25-23(26-16-7-10-30-11-8-16)27-21(15)22(29)28(20)14-17-4-3-9-31-17/h1-2,5-6,12-13,16-17H,3-4,7-11,14H2,(H,25,26,27)
InChIKeyJNBALFCDDKBILB-UHFFFAOYSA-N
XLogP3.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;ethane
CID 142118172
6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)
CID 158256640
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551682
sodium 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetic acid
CID 159289096
6-chloro-8-(2-chlorophenyl)-2-methyl-9-(oxolan-2-ylmethyl)purine
CID 59374577
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
2-(2-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazo[4,5-b]quinoxaline
CID 2017990
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one
CID 23434577
6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551699
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162321776

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one (CID 24743293) is 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one is O=c1c2nc(NC3CCOCC3)ncc2cc(-c2ccccc2Cl)n1CC1CCCO1.
What is the InChIKey of 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is JNBALFCDDKBILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20-12-15-13-25-23(26-16-7-10-30-11-8-16)27-21(15)22(29)28(20)14-17-4-3-9-31-17/h1-2,5-6,12-13,16-17H,3-4,7-11,14H2,(H,25,26,27).
What are the key properties of 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one?
6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 440.93 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-(oxan-4-ylamino)-7-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 24743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).