(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one

C21H20N2O3 — CID 124726061

IUPAC(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESC[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1
InChIInChI=1S/C21H20N2O3/c1-13-11-16(13)18-8-9-19(26-18)20-22-17-7-3-2-6-15(17)21(24)23(20)12-14-5-4-10-25-14/h2-10,13,16,20,22H,11-12H2,1H3/t13-,16-,20+/m1/s1
InChIKeyBPTPWNQCCVWLBB-AUJRIZCKSA-N
MW348.40 g/mol
LogP4.76
Rot. Bonds4

About (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one

(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 124726061) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID124726061
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESC[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1
InChIInChI=1S/C21H20N2O3/c1-13-11-16(13)18-8-9-19(26-18)20-22-17-7-3-2-6-15(17)21(24)23(20)12-14-5-4-10-25-14/h2-10,13,16,20,22H,11-12H2,1H3/t13-,16-,20+/m1/s1
InChIKeyBPTPWNQCCVWLBB-AUJRIZCKSA-N
XLogP4.76
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 124718829
(2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41088241
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 52975693
(2S)-3-(furan-2-ylmethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408634
3-(furan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780073
(2R)-2-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 40968052
3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780320
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1212587
2-(furan-2-yl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 47105721
(2S)-2-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 41243162

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 124726061) is (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one is C[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1.
What is the InChIKey of (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is BPTPWNQCCVWLBB-AUJRIZCKSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-11-16(13)18-8-9-19(26-18)20-22-17-7-3-2-6-15(17)21(24)23(20)12-14-5-4-10-25-14/h2-10,13,16,20,22H,11-12H2,1H3/t13-,16-,20+/m1/s1.
What are the key properties of (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one?
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 348.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 124726061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).