(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one

C20H19N3O2 — CID 35753156

IUPAC(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H19N3O2/c1-2-11-23-18(21-17-10-6-4-8-14(17)20(23)25)15-12-13-7-3-5-9-16(13)22-19(15)24/h3-10,12,18,21H,2,11H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyVLOXYARPVDOBSY-SFHVURJKSA-N
MW333.39 g/mol
LogP3.50
Rot. Bonds3

About (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one

(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 35753156) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID35753156
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H19N3O2/c1-2-11-23-18(21-17-10-6-4-8-14(17)20(23)25)15-12-13-7-3-5-9-16(13)22-19(15)24/h3-10,12,18,21H,2,11H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyVLOXYARPVDOBSY-SFHVURJKSA-N
XLogP3.50
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)-1,2-dihydroquinazolin-4-one
CID 39997338
(2S)-2-(2-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9012155
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778169
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 47061151
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 35753156) is (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is VLOXYARPVDOBSY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-11-23-18(21-17-10-6-4-8-14(17)20(23)25)15-12-13-7-3-5-9-16(13)22-19(15)24/h3-10,12,18,21H,2,11H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 35753156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).