4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine

C22H21ClN4O — CID 139225833

IUPAC4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
SMILESClc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNc2ccccc2-3)cc1
InChIInChI=1S/C22H21ClN4O/c23-16-7-5-15(6-8-16)21-25-20-17-3-1-2-4-19(17)24-10-9-18(20)22(26-21)27-11-13-28-14-12-27/h1-8,24H,9-14H2
InChIKeyTYTVVDHRQJCFHU-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.27
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine

4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine (PubChem CID 139225833) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
PubChem CID139225833
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
SMILESClc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNc2ccccc2-3)cc1
InChIInChI=1S/C22H21ClN4O/c23-16-7-5-15(6-8-16)21-25-20-17-3-1-2-4-19(17)24-10-9-18(20)22(26-21)27-11-13-28-14-12-27/h1-8,24H,9-14H2
InChIKeyTYTVVDHRQJCFHU-UHFFFAOYSA-N
XLogP4.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine 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-[9-chloro-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
CID 139226357
4-[2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-4-yl]morpholine
CID 139219737
4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
CID 91216293
6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
CID 45028993
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
CID 6405046
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine
CID 141274171
4-[2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine;dihydrochloride
CID 171365336
6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one
CID 143935907
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine (CID 139225833) is 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine is Clc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNc2ccccc2-3)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine?
The InChIKey is TYTVVDHRQJCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-16-7-5-15(6-8-16)21-25-20-17-3-1-2-4-19(17)24-10-9-18(20)22(26-21)27-11-13-28-14-12-27/h1-8,24H,9-14H2.
What are the key properties of 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine?
4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine has a molecular weight of 392.89 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine is sourced from PubChem (CID 139225833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).