2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one

C18H20N4O2 — CID 71231713

IUPAC2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C18H20N4O2/c1-20-7-4-8-21(10-9-20)18(24)13-11-16-19-17(23)14-5-2-3-6-15(14)22(16)12-13/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyGHEPAIVSPJWANF-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.56
Rot. Bonds1

About 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one

2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231713) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231713
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C18H20N4O2/c1-20-7-4-8-21(10-9-20)18(24)13-11-16-19-17(23)14-5-2-3-6-15(14)22(16)12-13/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyGHEPAIVSPJWANF-UHFFFAOYSA-N
XLogP1.56
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-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

2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231712
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231606
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644176
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
11-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-thia-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 71231687
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231713) is 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is CN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is GHEPAIVSPJWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-20-7-4-8-21(10-9-20)18(24)13-11-16-19-17(23)14-5-2-3-6-15(14)22(16)12-13/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23).
What are the key properties of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 324.38 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).