3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one

C23H17N3O — CID 121275641

IUPAC3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1
InChIInChI=1S/C23H17N3O/c27-23-20-5-1-2-6-22(20)25-15-26(23)14-16-8-10-17(11-9-16)19-12-18-4-3-7-21(18)24-13-19/h1-6,8-13,15H,7,14H2
InChIKeyKHVGKVJLYKJODY-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.08
Rot. Bonds3

About 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one

3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one (PubChem CID 121275641) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one
PubChem CID121275641
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1
InChIInChI=1S/C23H17N3O/c27-23-20-5-1-2-6-22(20)25-15-26(23)14-16-8-10-17(11-9-16)19-12-18-4-3-7-21(18)24-13-19/h1-6,8-13,15H,7,14H2
InChIKeyKHVGKVJLYKJODY-UHFFFAOYSA-N
XLogP4.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275710
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[(5-bromo-3-pyridinyl)methyl]quinazolin-4-one
CID 39528816
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275650
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-(2-chloroethyl)quinazolin-4-one
CID 4518743

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one (CID 121275641) is 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1.
What is the InChIKey of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one?
The InChIKey is KHVGKVJLYKJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-20-5-1-2-6-22(20)25-15-26(23)14-16-8-10-17(11-9-16)19-12-18-4-3-7-21(18)24-13-19/h1-6,8-13,15H,7,14H2.
What are the key properties of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one?
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 121275641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).