(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one

C20H18N4O — CID 51429597

IUPAC(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1C1CC1
InChIInChI=1S/C20H18N4O/c25-20-17-3-1-2-4-18(17)22-19(24(20)16-9-10-16)14-5-7-15(8-6-14)23-12-11-21-13-23/h1-8,11-13,16,19,22H,9-10H2/t19-/m0/s1
InChIKeyXOHYVBTYOFAHIH-IBGZPJMESA-N
MW330.39 g/mol
LogP3.60
Rot. Bonds3

About (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 51429597) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID51429597
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1C1CC1
InChIInChI=1S/C20H18N4O/c25-20-17-3-1-2-4-18(17)22-19(24(20)16-9-10-16)14-5-7-15(8-6-14)23-12-11-21-13-23/h1-8,11-13,16,19,22H,9-10H2/t19-/m0/s1
InChIKeyXOHYVBTYOFAHIH-IBGZPJMESA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 51429597) is (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XOHYVBTYOFAHIH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-17-3-1-2-4-18(17)22-19(24(20)16-9-10-16)14-5-7-15(8-6-14)23-12-11-21-13-23/h1-8,11-13,16,19,22H,9-10H2/t19-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 330.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51429597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).