6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one

C24H26N4O — CID 123403255

IUPAC6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one
SMILESCN1C(=O)NCc2nc(C3=CC=C(C4(N)CCC4)CC3)c(-c3ccccc3)cc21
InChIInChI=1S/C24H26N4O/c1-28-21-14-19(16-6-3-2-4-7-16)22(27-20(21)15-26-23(28)29)17-8-10-18(11-9-17)24(25)12-5-13-24/h2-4,6-8,10,14H,5,9,11-13,15,25H2,1H3,(H,26,29)
InChIKeyZDBDWISEIOAXOZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.39
Rot. Bonds3

About 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one

6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one (PubChem CID 123403255) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one
PubChem CID123403255
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one
SMILESCN1C(=O)NCc2nc(C3=CC=C(C4(N)CCC4)CC3)c(-c3ccccc3)cc21
InChIInChI=1S/C24H26N4O/c1-28-21-14-19(16-6-3-2-4-7-16)22(27-20(21)15-26-23(28)29)17-8-10-18(11-9-17)24(25)12-5-13-24/h2-4,6-8,10,14H,5,9,11-13,15,25H2,1H3,(H,26,29)
InChIKeyZDBDWISEIOAXOZ-UHFFFAOYSA-N
XLogP4.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 141304876
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 160935356
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-methoxyethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67254897
1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 160643577
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-4-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262056
3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
CID 158050487
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
CID 141304927
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53262178

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one (CID 123403255) is 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one is CN1C(=O)NCc2nc(C3=CC=C(C4(N)CCC4)CC3)c(-c3ccccc3)cc21.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one?
The InChIKey is ZDBDWISEIOAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-28-21-14-19(16-6-3-2-4-7-16)22(27-20(21)15-26-23(28)29)17-8-10-18(11-9-17)24(25)12-5-13-24/h2-4,6-8,10,14H,5,9,11-13,15,25H2,1H3,(H,26,29).
What are the key properties of 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one?
6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 123403255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).