methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate

C19H20N2O3 — CID 9008981

IUPACmethyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-21-17(13-8-10-14(11-9-13)19(23)24-2)20-16-7-5-4-6-15(16)18(21)22/h4-11,17,20H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyMKNKIHHTLYHKES-KRWDZBQOSA-N
MW324.38 g/mol
LogP3.45
Rot. Bonds4

About methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate

methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate (PubChem CID 9008981) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
PubChem CID9008981
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-21-17(13-8-10-14(11-9-13)19(23)24-2)20-16-7-5-4-6-15(16)18(21)22/h4-11,17,20H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyMKNKIHHTLYHKES-KRWDZBQOSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
methyl 4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]benzoate
CID 25337703
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
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
CID 122179902
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate?
The IUPAC name of methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate (CID 9008981) is methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate?
The canonical SMILES for methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate is CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate?
The InChIKey is MKNKIHHTLYHKES-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-12-21-17(13-8-10-14(11-9-13)19(23)24-2)20-16-7-5-4-6-15(16)18(21)22/h4-11,17,20H,3,12H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate?
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate is sourced from PubChem (CID 9008981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).