(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one

C22H20N2O2 — CID 9008726

IUPAC(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)ccc2c1
InChIInChI=1S/C22H20N2O2/c1-26-18-11-8-14-12-16(7-6-15(14)13-18)21-23-20-5-3-2-4-19(20)22(25)24(21)17-9-10-17/h2-8,11-13,17,21,23H,9-10H2,1H3/t21-/m1/s1
InChIKeyVTUVDHHEAXNLGJ-OAQYLSRUSA-N
MW344.41 g/mol
LogP4.58
Rot. Bonds3

About (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 9008726) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID9008726
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)ccc2c1
InChIInChI=1S/C22H20N2O2/c1-26-18-11-8-14-12-16(7-6-15(14)13-18)21-23-20-5-3-2-4-19(20)22(25)24(21)17-9-10-17/h2-8,11-13,17,21,23H,9-10H2,1H3/t21-/m1/s1
InChIKeyVTUVDHHEAXNLGJ-OAQYLSRUSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 52975382
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 41138450
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one (CID 9008726) is (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one is COc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)ccc2c1.
What is the InChIKey of (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VTUVDHHEAXNLGJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-11-8-14-12-16(7-6-15(14)13-18)21-23-20-5-3-2-4-19(20)22(25)24(21)17-9-10-17/h2-8,11-13,17,21,23H,9-10H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).