(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone

C29H31N7O — CID 86301363

IUPAC(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
SMILESCc1cc(-c2ccc(N)nc2)cc2c(N3CCc4ccc(C(=O)N5CCC(N)CC5)cc4C3)ncnc12
InChIInChI=1S/C29H31N7O/c1-18-12-22(21-4-5-26(31)32-15-21)14-25-27(18)33-17-34-28(25)36-9-6-19-2-3-20(13-23(19)16-36)29(37)35-10-7-24(30)8-11-35/h2-5,12-15,17,24H,6-11,16,30H2,1H3,(H2,31,32)
InChIKeyDPWKOCZXJLTONS-UHFFFAOYSA-N
MW493.62 g/mol
LogP3.71
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone

(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone (PubChem CID 86301363) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
PubChem CID86301363
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
SMILESCc1cc(-c2ccc(N)nc2)cc2c(N3CCc4ccc(C(=O)N5CCC(N)CC5)cc4C3)ncnc12
InChIInChI=1S/C29H31N7O/c1-18-12-22(21-4-5-26(31)32-15-21)14-25-27(18)33-17-34-28(25)36-9-6-19-2-3-20(13-23(19)16-36)29(37)35-10-7-24(30)8-11-35/h2-5,12-15,17,24H,6-11,16,30H2,1H3,(H2,31,32)
InChIKeyDPWKOCZXJLTONS-UHFFFAOYSA-N
XLogP3.71
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-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-aminopiperidin-1-yl)-[2-[6-(5-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
CID 86300622
(4-aminopiperidin-1-yl)-[2-[8-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
CID 86302157
(4-aminopiperidin-1-yl)-[2-[8-methyl-6-[[(2S)-2-methylbutyl]amino]quinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
CID 144727780
2-[6-(5-amino-6-chloro-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 144727770
[2-[6-(3,3-difluoropyrrolidin-1-yl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 86299888
[2-[6-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-[4-(2-fluoroethylamino)piperidin-1-yl]methanone;molecular hydrogen
CID 144727817
(4-aminopiperidin-1-yl)-[2-[6-(3,3-difluoropyrrolidin-1-yl)-8-methylquinolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone;1-[[2-[6-(3,3-difluoropyrrolidin-1-yl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfinyl]-4-methylpiperidin-4-amine;ethane
CID 144727789
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-(8-methyl-6-pyrimidin-5-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 86300771
2-[5-(4-aminopiperidine-1-carbonyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 167824767
5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
CID 158204388
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone (CID 86301363) is (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone is Cc1cc(-c2ccc(N)nc2)cc2c(N3CCc4ccc(C(=O)N5CCC(N)CC5)cc4C3)ncnc12.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone?
The InChIKey is DPWKOCZXJLTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-18-12-22(21-4-5-26(31)32-15-21)14-25-27(18)33-17-34-28(25)36-9-6-19-2-3-20(13-23(19)16-36)29(37)35-10-7-24(30)8-11-35/h2-5,12-15,17,24H,6-11,16,30H2,1H3,(H2,31,32).
What are the key properties of (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone?
(4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone has a molecular weight of 493.62 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-[6-(6-amino-3-pyridinyl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone is sourced from PubChem (CID 86301363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).