6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine

C30H28Br2N8O3 — CID 159440291

IUPAC6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine
SMILESCN.CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc2c(=O)[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C15H13BrN4O.C14H10BrN3O2.CH5N/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9;1-20-11-6-9(15)5-10-12(11)17-13(18-14(10)19)8-3-2-4-16-7-8;1-2/h3-8H,1-2H3,(H,17,19,20);2-7H,1H3,(H,17,18,19);2H2,1H3
InChIKeyLSBVJLRZBMZVFL-UHFFFAOYSA-N
MW708.42 g/mol
LogP5.84
Rot. Bonds5

About 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine

6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine (PubChem CID 159440291) has the molecular formula C30H28Br2N8O3 and a molecular weight of 708.42 g/mol. Its IUPAC name is 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine.

Molecular Properties

Compound Name6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine
PubChem CID159440291
Molecular FormulaC30H28Br2N8O3
Molecular Weight708.42 g/mol
Exact Mass706.07
IUPAC Name6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine
SMILESCN.CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc2c(=O)[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C15H13BrN4O.C14H10BrN3O2.CH5N/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9;1-20-11-6-9(15)5-10-12(11)17-13(18-14(10)19)8-3-2-4-16-7-8;1-2/h3-8H,1-2H3,(H,17,19,20);2-7H,1H3,(H,17,18,19);2H2,1H3
InChIKeyLSBVJLRZBMZVFL-UHFFFAOYSA-N
XLogP5.84
TPSA153.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.42
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180489
6-bromo-N-methyl-2-pyridin-3-yl-8-(trifluoromethoxy)quinazolin-4-amine
CID 117657804
[2-Fluoro-5-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 117658619
2-Fluoro-5-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]benzamide
CID 117659018
[6-[2-[4-(4-Bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]ethyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 118884432
6-bromo-8-(difluoromethoxy)-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]quinazolin-4-amine
CID 166568131
2-[[2-[2-(4-bromo-2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 172624754
N-(4-bromo-2-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
CID 22333959
N-({4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinazolinyl}methyl)isonicotinamide
CID 42168353
4-bromo-3-methoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 126478916
5-bromo-N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-methoxybenzamide
CID 18727780
2-[[6-Methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine?
The IUPAC name of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine (CID 159440291) is 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine.
What is the SMILES notation for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine?
The canonical SMILES for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine is CN.CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc2c(=O)[nH]c(-c3cccnc3)nc12.
What is the InChIKey of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine?
The InChIKey is LSBVJLRZBMZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O.C14H10BrN3O2.CH5N/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9;1-20-11-6-9(15)5-10-12(11)17-13(18-14(10)19)8-3-2-4-16-7-8;1-2/h3-8H,1-2H3,(H,17,19,20);2-7H,1H3,(H,17,18,19);2H2,1H3.
What are the key properties of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine?
6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine has a molecular weight of 708.42 g/mol, XLogP of 5.84, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;methanamine is sourced from PubChem (CID 159440291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).