3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

C23H18N4O — CID 121275695

IUPAC3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)cc3)c2c1
InChIInChI=1S/C23H18N4O/c1-26-13-18-4-2-5-19(20(18)14-26)17-9-7-16(8-10-17)12-27-15-25-21-6-3-11-24-22(21)23(27)28/h2-11,13-15H,12H2,1H3
InChIKeyUDPUILFVWKLFRT-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.00
Rot. Bonds3

About 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 121275695) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID121275695
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)cc3)c2c1
InChIInChI=1S/C23H18N4O/c1-26-13-18-4-2-5-19(20(18)14-26)17-9-7-16(8-10-17)12-27-15-25-21-6-3-11-24-22(21)23(27)28/h2-11,13-15H,12H2,1H3
InChIKeyUDPUILFVWKLFRT-UHFFFAOYSA-N
XLogP4.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275763
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275650
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275742
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[[2,6-difluoro-4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 123764581
3-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 144742049
3-benzyl-7-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 95920139
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-[[4-(3a,7a-dihydro-1H-indol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]quinazolin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[4-(2-methylindazol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 159344598
2-[4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile
CID 24622682
3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810809

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 121275695) is 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)cc3)c2c1.
What is the InChIKey of 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is UDPUILFVWKLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-26-13-18-4-2-5-19(20(18)14-26)17-9-7-16(8-10-17)12-27-15-25-21-6-3-11-24-22(21)23(27)28/h2-11,13-15H,12H2,1H3.
What are the key properties of 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 121275695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).