2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one

C17H21N3O3 — CID 135933709

IUPAC2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESC[C@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C17H21N3O3/c1-12-11-20(9-10-23-12)16(21)8-4-7-15-18-14-6-3-2-5-13(14)17(22)19-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,22)/t12-/m0/s1
InChIKeyHUWAHBPODPJNPI-LBPRGKRZSA-N
MW315.37 g/mol
LogP1.49
Rot. Bonds4

About 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one

2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one (PubChem CID 135933709) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
PubChem CID135933709
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESC[C@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C17H21N3O3/c1-12-11-20(9-10-23-12)16(21)8-4-7-15-18-14-6-3-2-5-13(14)17(22)19-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,22)/t12-/m0/s1
InChIKeyHUWAHBPODPJNPI-LBPRGKRZSA-N
XLogP1.49
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135994857
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
2-[4-[4-(2,1-benzoxazol-3-yl)piperazin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628924
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
CID 137278349
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927
(9S)-9-methyl-3-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
CID 136727271

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one (CID 135933709) is 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one is C[C@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCO1.
What is the InChIKey of 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The InChIKey is HUWAHBPODPJNPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-11-20(9-10-23-12)16(21)8-4-7-15-18-14-6-3-2-5-13(14)17(22)19-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,22)/t12-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one?
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one has a molecular weight of 315.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135933709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).