N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine

C20H20BrClN4 — CID 44507938

IUPACN-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine
SMILESClc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C20H20BrClN4/c21-15-6-7-18-17(12-15)19(25-20(22)24-18)23-16-8-10-26(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,23,24,25)
InChIKeyADXRCZONJJMFSA-UHFFFAOYSA-N
MW431.77 g/mol
LogP5.12
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine (PubChem CID 44507938) has the molecular formula C20H20BrClN4 and a molecular weight of 431.77 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine
PubChem CID44507938
Molecular FormulaC20H20BrClN4
Molecular Weight431.77 g/mol
Exact Mass430.06
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine
SMILESClc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C20H20BrClN4/c21-15-6-7-18-17(12-15)19(25-20(22)24-18)23-16-8-10-26(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,23,24,25)
InChIKeyADXRCZONJJMFSA-UHFFFAOYSA-N
XLogP5.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.77
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
6-Bromoquipazine
CID 130261
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
N-(3-bromophenyl)quinazolin-4-amine
CID 735125
4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
CID 5328203
1,4-Pentanediamine, N(sup 4)-(2-(2-(4-bromophenyl)ethenyl)-7-chloro-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 5285750

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine (CID 44507938) is N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine is Clc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(Br)ccc2n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine?
The InChIKey is ADXRCZONJJMFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN4/c21-15-6-7-18-17(12-15)19(25-20(22)24-18)23-16-8-10-26(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,23,24,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine has a molecular weight of 431.77 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-bromo-2-chloroquinazolin-4-amine is sourced from PubChem (CID 44507938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).