(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one

C22H22N4O2 — CID 25354642

IUPAC(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@@H]1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H22N4O2/c1-25-19-9-5-3-7-16(19)22(27)24-20(25)17-14-15-6-2-4-8-18(15)23-21(17)26-10-12-28-13-11-26/h2-9,14,20H,10-13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyHFXSTTIRVOHTLQ-FQEVSTJZSA-N
MW374.44 g/mol
LogP2.95
Rot. Bonds2

About (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one

(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one (PubChem CID 25354642) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one
PubChem CID25354642
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@@H]1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H22N4O2/c1-25-19-9-5-3-7-16(19)22(27)24-20(25)17-14-15-6-2-4-8-18(15)23-21(17)26-10-12-28-13-11-26/h2-9,14,20H,10-13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyHFXSTTIRVOHTLQ-FQEVSTJZSA-N
XLogP2.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one with MolForge

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Related Compounds

3-methyl-4-(2-morpholin-4-ylquinolin-3-yl)-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170507575
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1396739
(2S)-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 95164177
N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide
CID 133131593
N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274
3-morpholin-4-ylquinolin-2-amine
CID 67346064
2-(4-bromothiophen-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 2799214
1,3-dimethyl-4-(7-methyl-2-morpholin-4-ylquinolin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169422291
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5292750
2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 56673144
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one (CID 25354642) is (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)N[C@@H]1c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one?
The InChIKey is HFXSTTIRVOHTLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25-19-9-5-3-7-16(19)22(27)24-20(25)17-14-15-6-2-4-8-18(15)23-21(17)26-10-12-28-13-11-26/h2-9,14,20H,10-13H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one?
(2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-morpholin-4-ylquinolin-3-yl)-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 25354642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).