N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride

C17H23Cl2N5O2 — CID 137136914

IUPACN-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1
InChIInChI=1S/C17H22ClN5O2.ClH/c18-12-3-4-14-13(8-12)17(25)22-15(21-14)10-23-7-1-2-11(9-23)16(24)20-6-5-19;/h3-4,8,11H,1-2,5-7,9-10,19H2,(H,20,24)(H,21,22,25);1H
InChIKeyZOVLVTSAEGKGEU-UHFFFAOYSA-N
MW400.31 g/mol
LogP1.29
Rot. Bonds5

About N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 137136914) has the molecular formula C17H23Cl2N5O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID137136914
Molecular FormulaC17H23Cl2N5O2
Molecular Weight400.31 g/mol
Exact Mass399.12
IUPAC NameN-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1
InChIInChI=1S/C17H22ClN5O2.ClH/c18-12-3-4-14-13(8-12)17(25)22-15(21-14)10-23-7-1-2-11(9-23)16(24)20-6-5-19;/h3-4,8,11H,1-2,5-7,9-10,19H2,(H,20,24)(H,21,22,25);1H
InChIKeyZOVLVTSAEGKGEU-UHFFFAOYSA-N
XLogP1.29
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137156467
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
6-chloro-2-[[(3S)-3-(2-hydroxyethoxy)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136817537
2-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 137092622
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137091731
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride (CID 137136914) is N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZOVLVTSAEGKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2.ClH/c18-12-3-4-14-13(8-12)17(25)22-15(21-14)10-23-7-1-2-11(9-23)16(24)20-6-5-19;/h3-4,8,11H,1-2,5-7,9-10,19H2,(H,20,24)(H,21,22,25);1H.
What are the key properties of N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 400.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137136914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).