7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one

C20H24N2O2 — CID 143023320

IUPAC7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one
SMILESCCCCCC1NC(=O)c2ccc(OC)cc2N1c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-4-6-11-19-21-20(23)17-13-12-16(24-2)14-18(17)22(19)15-9-7-5-8-10-15/h5,7-10,12-14,19H,3-4,6,11H2,1-2H3,(H,21,23)
InChIKeyNTSHUDULUKUHCI-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.48
Rot. Bonds6

About 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one

7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one (PubChem CID 143023320) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one
PubChem CID143023320
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one
SMILESCCCCCC1NC(=O)c2ccc(OC)cc2N1c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-4-6-11-19-21-20(23)17-13-12-16(24-2)14-18(17)22(19)15-9-7-5-8-10-15/h5,7-10,12-14,19H,3-4,6,11H2,1-2H3,(H,21,23)
InChIKeyNTSHUDULUKUHCI-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492546
(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 163006943
1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 3249189
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
(3R,4R)-1-[(2R)-2-(2-butoxy-4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-3,4-dimethoxypyrrolidine-2,5-dione
CID 70995033
(3aR,6aS)-3-(2,5-dimethoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 9196315
3-butyl-7-methoxy-2-methyl-5-phenyl-3,4-dihydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 175983628
2-(4-butoxyphenyl)-6-iodo-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 4642062
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene
CID 20754164
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one (CID 143023320) is 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one is CCCCCC1NC(=O)c2ccc(OC)cc2N1c1ccccc1.
What is the InChIKey of 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one?
The InChIKey is NTSHUDULUKUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-6-11-19-21-20(23)17-13-12-16(24-2)14-18(17)22(19)15-9-7-5-8-10-15/h5,7-10,12-14,19H,3-4,6,11H2,1-2H3,(H,21,23).
What are the key properties of 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one?
7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 143023320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).