6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane

C29H33Br2ClN6O — CID 158982860

IUPAC6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane
SMILESC.C.C.CC(C)NC(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C18H17BrN4O.C8H4BrClN2.3CH4/c1-11(2)21-17(24)12-3-6-15(7-4-12)22-18-20-10-13-9-14(19)5-8-16(13)23-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7;;;/h3-11H,1-2H3,(H,21,24)(H,20,22,23);1-4H;3*1H4
InChIKeyJPFIDOBIXBANEE-UHFFFAOYSA-N
MW676.89 g/mol
LogP9.23
Rot. Bonds4

About 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane

6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane (PubChem CID 158982860) has the molecular formula C29H33Br2ClN6O and a molecular weight of 676.89 g/mol. Its IUPAC name is 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane.

Molecular Properties

Compound Name6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane
PubChem CID158982860
Molecular FormulaC29H33Br2ClN6O
Molecular Weight676.89 g/mol
Exact Mass674.08
IUPAC Name6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane
SMILESC.C.C.CC(C)NC(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C18H17BrN4O.C8H4BrClN2.3CH4/c1-11(2)21-17(24)12-3-6-15(7-4-12)22-18-20-10-13-9-14(19)5-8-16(13)23-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7;;;/h3-11H,1-2H3,(H,21,24)(H,20,22,23);1-4H;3*1H4
InChIKeyJPFIDOBIXBANEE-UHFFFAOYSA-N
XLogP9.23
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.89
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane with MolForge

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Related Compounds

Sgi-1027
CID 24858111
2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444992
3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
CID 10483163
3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
CID 44390706
N-(2,6-dimethylphenyl)-4-[(4-phenylpyrido[2,3-d]pyrimidin-2-yl)amino]benzamide
CID 44565644
N-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 59457983
2-amino-N-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830214
N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A5)
CID 76401485
2-(3-bromophenyl)-N-(2-pyrimidinyl)-4-quinolinecarboxamide
CID 1000857
6-Bromo-2-(3-pyridinyl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline
CID 1257122
6-bromo-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965406
N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
CID 71584544

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane?
The IUPAC name of 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane (CID 158982860) is 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane.
What is the SMILES notation for 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane?
The canonical SMILES for 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane is C.C.C.CC(C)NC(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1.Clc1ncc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane?
The InChIKey is JPFIDOBIXBANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O.C8H4BrClN2.3CH4/c1-11(2)21-17(24)12-3-6-15(7-4-12)22-18-20-10-13-9-14(19)5-8-16(13)23-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7;;;/h3-11H,1-2H3,(H,21,24)(H,20,22,23);1-4H;3*1H4.
What are the key properties of 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane?
6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane has a molecular weight of 676.89 g/mol, XLogP of 9.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinazoline;4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane is sourced from PubChem (CID 158982860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).