(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

C19H15IN2O2 — CID 1009004

IUPAC(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccco2)c1
InChIInChI=1S/C19H15IN2O2/c1-12-4-2-5-14(10-12)22-18(17-6-3-9-24-17)21-16-8-7-13(20)11-15(16)19(22)23/h2-11,18,21H,1H3/t18-/m1/s1
InChIKeyJNYWUUGYNVQABB-GOSISDBHSA-N
MW430.25 g/mol
LogP4.96
Rot. Bonds2

About (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1009004) has the molecular formula C19H15IN2O2 and a molecular weight of 430.25 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1009004
Molecular FormulaC19H15IN2O2
Molecular Weight430.25 g/mol
Exact Mass430.02
IUPAC Name(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccco2)c1
InChIInChI=1S/C19H15IN2O2/c1-12-4-2-5-14(10-12)22-18(17-6-3-9-24-17)21-16-8-7-13(20)11-15(16)19(22)23/h2-11,18,21H,1H3/t18-/m1/s1
InChIKeyJNYWUUGYNVQABB-GOSISDBHSA-N
XLogP4.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxynaphthalen-1-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 4083670
(2R)-2-(furan-2-yl)-3-(3-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CID 829978
(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
(2S)-3-(3-fluorophenyl)-6-iodo-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027315
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
2-(4-butoxyphenyl)-6-iodo-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 4642062
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
(2R)-3-(3-methylphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011989
(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 1009004) is (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccco2)c1.
What is the InChIKey of (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JNYWUUGYNVQABB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15IN2O2/c1-12-4-2-5-14(10-12)22-18(17-6-3-9-24-17)21-16-8-7-13(20)11-15(16)19(22)23/h2-11,18,21H,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 430.25 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1009004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).