(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one

C22H28N4O2 — CID 28628842

IUPAC(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1
InChIInChI=1S/C22H28N4O2/c1-15-5-3-4-6-18(15)17-13-19-21(20(27)14-17)16(2)24-22(25-19)23-7-8-26-9-11-28-12-10-26/h3-6,17H,7-14H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyKBAODRCBGKUVTE-KRWDZBQOSA-N
MW380.49 g/mol
LogP2.75
Rot. Bonds5

About (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one

(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 28628842) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID28628842
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1
InChIInChI=1S/C22H28N4O2/c1-15-5-3-4-6-18(15)17-13-19-21(20(27)14-17)16(2)24-22(25-19)23-7-8-26-9-11-28-12-10-26/h3-6,17H,7-14H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyKBAODRCBGKUVTE-KRWDZBQOSA-N
XLogP2.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 16652857
(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 1491982
2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16652858
2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 74224335
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
CID 25249544
2,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 170366178
(7R)-7-(2-methoxyphenyl)-4-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629818
(7S)-2-(4-fluoroanilino)-7-(2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29156655
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913349
(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
CID 95291759
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516

Frequently Asked Questions

What is the IUPAC name of (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 28628842) is (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1.
What is the InChIKey of (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is KBAODRCBGKUVTE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-5-3-4-6-18(15)17-13-19-21(20(27)14-17)16(2)24-22(25-19)23-7-8-26-9-11-28-12-10-26/h3-6,17H,7-14H2,1-2H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 380.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 28628842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).