(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one

C20H18N2O2 — CID 41024276

IUPAC(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1
InChIInChI=1S/C20H18N2O2/c1-14(15-8-3-2-4-9-15)22-19(18-12-7-13-24-18)21-17-11-6-5-10-16(17)20(22)23/h2-14,19,21H,1H3/t14-,19-/m0/s1
InChIKeyJTQMVSIPZVHNSC-LIRRHRJNSA-N
MW318.38 g/mol
LogP4.61
Rot. Bonds3

About (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one

(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one (PubChem CID 41024276) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
PubChem CID41024276
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1
InChIInChI=1S/C20H18N2O2/c1-14(15-8-3-2-4-9-15)22-19(18-12-7-13-24-18)21-17-11-6-5-10-16(17)20(22)23/h2-14,19,21H,1H3/t14-,19-/m0/s1
InChIKeyJTQMVSIPZVHNSC-LIRRHRJNSA-N
XLogP4.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
2-(furan-2-yl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 47105721
2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 143147910
(2R)-2-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40795206
4-[(2S)-4-oxo-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-2-yl]benzonitrile
CID 40790571
(2R)-3-(4-fluorophenyl)-2-(furan-2-yl)-1,2-dihydroquinazolin-4-one
CID 7027322
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501
2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778713
(2S)-2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 95167768
N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
CID 18887112
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one (CID 41024276) is (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one is C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is JTQMVSIPZVHNSC-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(15-8-3-2-4-9-15)22-19(18-12-7-13-24-18)21-17-11-6-5-10-16(17)20(22)23/h2-14,19,21H,1H3/t14-,19-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one?
(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41024276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).