3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one

C20H21N3O — CID 39746170

IUPAC3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H21N3O/c24-19-17-9-12-21-13-18(17)22-15-23(19)14-20(10-5-2-6-11-20)16-7-3-1-4-8-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11,14H2
InChIKeyJJXGQVLEZNDZOB-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds3

About 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one

3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 39746170) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID39746170
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H21N3O/c24-19-17-9-12-21-13-18(17)22-15-23(19)14-20(10-5-2-6-11-20)16-7-3-1-4-8-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11,14H2
InChIKeyJJXGQVLEZNDZOB-UHFFFAOYSA-N
XLogP3.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 99841378
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
3-cyclopropylpyrido[3,4-d]pyrimidin-4-one
CID 102429049
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-(2-ethylsulfanylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 122150073
3-[2-hydroxy-3-[2-(trifluoromethyl)phenyl]propyl]pyrido[3,4-d]pyrimidin-4-one
CID 84599267
N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide
CID 122145354
N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
CID 122150068
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 86817777

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one (CID 39746170) is 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1CC1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JJXGQVLEZNDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19-17-9-12-21-13-18(17)22-15-23(19)14-20(10-5-2-6-11-20)16-7-3-1-4-8-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11,14H2.
What are the key properties of 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 39746170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).