(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone

C23H29N5O — CID 131928639

IUPAC(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
SMILESNc1nc2c(c(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)n1)CCCC2
InChIInChI=1S/C23H29N5O/c24-23-25-20-9-4-3-8-19(20)21(26-23)22(29)28-11-5-10-27(12-13-28)18-14-16-6-1-2-7-17(16)15-18/h1-2,6-7,18H,3-5,8-15H2,(H2,24,25,26)
InChIKeyHILBVTSVSRPZQM-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.25
Rot. Bonds2

About (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 131928639) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID131928639
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
SMILESNc1nc2c(c(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)n1)CCCC2
InChIInChI=1S/C23H29N5O/c24-23-25-20-9-4-3-8-19(20)21(26-23)22(29)28-11-5-10-27(12-13-28)18-14-16-6-1-2-7-17(16)15-18/h1-2,6-7,18H,3-5,8-15H2,(H2,24,25,26)
InChIKeyHILBVTSVSRPZQM-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone 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

4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126437582
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
[(3S)-3-aminoazepan-1-yl]-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanone
CID 96578504
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
CID 70774943
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155917339
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinoxalin-6-ylmethanone
CID 91836378
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
1-[4-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 70743799
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 70716580
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 91778758
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 133117489

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone (CID 131928639) is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone is Nc1nc2c(c(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)n1)CCCC2.
What is the InChIKey of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is HILBVTSVSRPZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c24-23-25-20-9-4-3-8-19(20)21(26-23)22(29)28-11-5-10-27(12-13-28)18-14-16-6-1-2-7-17(16)15-18/h1-2,6-7,18H,3-5,8-15H2,(H2,24,25,26).
What are the key properties of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone?
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 131928639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).