(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one

C21H23N3O — CID 41063393

IUPAC(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C21H23N3O/c1-15-20-18(23-21(22-15)24-11-5-6-12-24)13-17(14-19(20)25)10-9-16-7-3-2-4-8-16/h2-4,7-10,17H,5-6,11-14H2,1H3/b10-9+/t17-/m1/s1
InChIKeyHEUCOGAMRJICLV-OAGJVSPASA-N
MW333.44 g/mol
LogP3.84
Rot. Bonds3

About (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one

(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41063393) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41063393
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C21H23N3O/c1-15-20-18(23-21(22-15)24-11-5-6-12-24)13-17(14-19(20)25)10-9-16-7-3-2-4-8-16/h2-4,7-10,17H,5-6,11-14H2,1H3/b10-9+/t17-/m1/s1
InChIKeyHEUCOGAMRJICLV-OAGJVSPASA-N
XLogP3.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7445350
(7S)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961426
ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 41063175
(7S)-2-[(2R)-2-methylpiperidin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 29109580
(9S)-9-[(E)-2-phenylethenyl]-3-piperidin-1-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135928164
2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 17190243
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
CID 25249544
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7447113
4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 7601708
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601684
4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 4873963

Frequently Asked Questions

What is the IUPAC name of (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one (CID 41063393) is (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2.
What is the InChIKey of (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HEUCOGAMRJICLV-OAGJVSPASA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-20-18(23-21(22-15)24-11-5-6-12-24)13-17(14-19(20)25)10-9-16-7-3-2-4-8-16/h2-4,7-10,17H,5-6,11-14H2,1H3/b10-9+/t17-/m1/s1.
What are the key properties of (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 333.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).