2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

C25H24N6O3 — CID 89271177

IUPAC2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2nc(-c3cccc(N)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C25H24N6O3/c1-32-8-9-34-23-13-21-19(12-22(23)33-2)25(28-18-6-7-20-16(11-18)14-27-31-20)30-24(29-21)15-4-3-5-17(26)10-15/h3-7,10-14H,8-9,26H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyLTYGSXSHFBJLJM-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.53
Rot. Bonds8

About 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 89271177) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID89271177
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2nc(-c3cccc(N)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C25H24N6O3/c1-32-8-9-34-23-13-21-19(12-22(23)33-2)25(28-18-6-7-20-16(11-18)14-27-31-20)30-24(29-21)15-4-3-5-17(26)10-15/h3-7,10-14H,8-9,26H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyLTYGSXSHFBJLJM-UHFFFAOYSA-N
XLogP4.53
TPSA120.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 25013868
[2-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(2-methoxyethoxy)quinazolin-2-yl]anilino]-1-morpholin-4-yl-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67134725
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 117092365
N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 25011913
5-[[2-(3-aminophenyl)-6-[2-(dimethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]indazole-1-carboxylic acid
CID 66826096
6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
CID 91268583
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716
N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 141376740

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine (CID 89271177) is 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1cc2nc(-c3cccc(N)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is LTYGSXSHFBJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-32-8-9-34-23-13-21-19(12-22(23)33-2)25(28-18-6-7-20-16(11-18)14-27-31-20)30-24(29-21)15-4-3-5-17(26)10-15/h3-7,10-14H,8-9,26H2,1-2H3,(H,27,31)(H,28,29,30).
What are the key properties of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 456.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 89271177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).