4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

C17H20N4 — CID 56950109

IUPAC4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20)
InChIKeyWOTJWFYAOAXQQZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.81
Rot. Bonds1

About 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 56950109) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID56950109
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20)
InChIKeyWOTJWFYAOAXQQZ-UHFFFAOYSA-N
XLogP2.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine 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

6-[(3S)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-amine
CID 67301773
4-(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)piperazine-1-carboxylic acid
CID 69226287
6-(3-aminoazetidin-1-yl)-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 66741046
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 67302144
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074119
6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071320
ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
CID 159745958
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
6-(2,6-diazabicyclo[3.2.1]octan-2-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 66741343
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 67302601
N-[2-amino-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-8-yl]-4-methoxybenzenesulfonamide
CID 135389090

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 56950109) is 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2.
What is the InChIKey of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is WOTJWFYAOAXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20).
What are the key properties of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 56950109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).