N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol

C41H30BrN9O2 — CID 135793878

IUPACN-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1-c1ccccn1.Oc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cccnc1
InChIInChI=1S/C21H15N5O.C20H15BrN4O/c27-20-10-19-17(9-16(20)14-2-1-6-22-11-14)21(25-12-24-19)26-15-3-4-18-13(8-15)5-7-23-18;1-26-19-11-18-16(10-15(19)17-7-2-3-8-22-17)20(24-12-23-18)25-14-6-4-5-13(21)9-14/h1-12,23,27H,(H,24,25,26);2-12H,1H3,(H,23,24,25)
InChIKeyBZULBDXUYPWVEE-UHFFFAOYSA-N
MW760.66 g/mol
LogP9.83
Rot. Bonds7

About N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol

N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol (PubChem CID 135793878) has the molecular formula C41H30BrN9O2 and a molecular weight of 760.66 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol
PubChem CID135793878
Molecular FormulaC41H30BrN9O2
Molecular Weight760.66 g/mol
Exact Mass759.17
IUPAC NameN-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1-c1ccccn1.Oc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cccnc1
InChIInChI=1S/C21H15N5O.C20H15BrN4O/c27-20-10-19-17(9-16(20)14-2-1-6-22-11-14)21(25-12-24-19)26-15-3-4-18-13(8-15)5-7-23-18;1-26-19-11-18-16(10-15(19)17-7-2-3-8-22-17)20(24-12-23-18)25-14-6-4-5-13(21)9-14/h1-12,23,27H,(H,24,25,26);2-12H,1H3,(H,23,24,25)
InChIKeyBZULBDXUYPWVEE-UHFFFAOYSA-N
XLogP9.83
TPSA146.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.66
LogP ≤ 59.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol with MolForge

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Related Compounds

4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
CID 70245929
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
CID 22000120
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol?
The IUPAC name of N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol (CID 135793878) is N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol.
What is the SMILES notation for N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol?
The canonical SMILES for N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol is COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1-c1ccccn1.Oc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cccnc1.
What is the InChIKey of N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol?
The InChIKey is BZULBDXUYPWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O.C20H15BrN4O/c27-20-10-19-17(9-16(20)14-2-1-6-22-11-14)21(25-12-24-19)26-15-3-4-18-13(8-15)5-7-23-18;1-26-19-11-18-16(10-15(19)17-7-2-3-8-22-17)20(24-12-23-18)25-14-6-4-5-13(21)9-14/h1-12,23,27H,(H,24,25,26);2-12H,1H3,(H,23,24,25).
What are the key properties of N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol?
N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol has a molecular weight of 760.66 g/mol, XLogP of 9.83, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol is sourced from PubChem (CID 135793878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).