1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine

C15H18BrClFN5 — CID 151135008

IUPAC1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(N2CCNCC2)c2cc(Cl)c(Br)c(F)c2n1
InChIInChI=1S/C15H18BrClFN5/c1-22(2)8-11-20-14-9(7-10(17)12(16)13(14)18)15(21-11)23-5-3-19-4-6-23/h7,19H,3-6,8H2,1-2H3
InChIKeyMVAJVTOYVQQWIK-UHFFFAOYSA-N
MW402.70 g/mol
LogP2.66
Rot. Bonds3

About 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine

1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine (PubChem CID 151135008) has the molecular formula C15H18BrClFN5 and a molecular weight of 402.70 g/mol. Its IUPAC name is 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine
PubChem CID151135008
Molecular FormulaC15H18BrClFN5
Molecular Weight402.70 g/mol
Exact Mass401.04
IUPAC Name1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(N2CCNCC2)c2cc(Cl)c(Br)c(F)c2n1
InChIInChI=1S/C15H18BrClFN5/c1-22(2)8-11-20-14-9(7-10(17)12(16)13(14)18)15(21-11)23-5-3-19-4-6-23/h7,19H,3-6,8H2,1-2H3
InChIKeyMVAJVTOYVQQWIK-UHFFFAOYSA-N
XLogP2.66
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929
7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
CID 123902748
2-[6-chloro-8-fluoro-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]-4-piperazin-1-ylquinazolin-7-yl]-3-fluorophenol
CID 137252398
7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline
CID 170572041
tert-butyl 4-[7-bromo-6-chloro-2-[3-[(dimethylamino)methyl]azetidin-1-yl]-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 166921914
benzyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
CID 156507503
8-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 172556403
2-[6-chloro-8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinazolin-7-yl]-3-fluorophenol
CID 137082267
(1S,4R)-N-benzyl-7-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-N-methyl-7-azabicyclo[2.2.1]heptan-2-amine
CID 171454107
2-[4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazin-1-ium-2-yl]acetonitrile
CID 163458270
7-bromo-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-amine
CID 170099902
4-[6-chloro-2-[(2S)-1-(dimethylamino)propan-2-yl]oxy-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]-1,3-benzothiazol-2-amine
CID 166102933

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine (CID 151135008) is 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nc(N2CCNCC2)c2cc(Cl)c(Br)c(F)c2n1.
What is the InChIKey of 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is MVAJVTOYVQQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN5/c1-22(2)8-11-20-14-9(7-10(17)12(16)13(14)18)15(21-11)23-5-3-19-4-6-23/h7,19H,3-6,8H2,1-2H3.
What are the key properties of 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine?
1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 402.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 151135008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).