N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine

C24H22F2N4O4 — CID 71180101

IUPACN-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOCCOc1cc2c(Nc3cccc(OC(F)F)c3)nc(-c3cccnc3)nc2cc1OC
InChIInChI=1S/C24H22F2N4O4/c1-31-9-10-33-21-12-18-19(13-20(21)32-2)29-22(15-5-4-8-27-14-15)30-23(18)28-16-6-3-7-17(11-16)34-24(25)26/h3-8,11-14,24H,9-10H2,1-2H3,(H,28,29,30)
InChIKeyLLUASXMGNSXYBN-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.07
Rot. Bonds10

About N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine

N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180101) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180101
Molecular FormulaC24H22F2N4O4
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC NameN-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOCCOc1cc2c(Nc3cccc(OC(F)F)c3)nc(-c3cccnc3)nc2cc1OC
InChIInChI=1S/C24H22F2N4O4/c1-31-9-10-33-21-12-18-19(13-20(21)32-2)29-22(15-5-4-8-27-14-15)30-23(18)28-16-6-3-7-17(11-16)34-24(25)26/h3-8,11-14,24H,9-10H2,1-2H3,(H,28,29,30)
InChIKeyLLUASXMGNSXYBN-UHFFFAOYSA-N
XLogP5.07
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71273959
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 137154799
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300
N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
CID 71180482
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 141376740
N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 25011913
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine (CID 71180101) is N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine is COCCOc1cc2c(Nc3cccc(OC(F)F)c3)nc(-c3cccnc3)nc2cc1OC.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LLUASXMGNSXYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-31-9-10-33-21-12-18-19(13-20(21)32-2)29-22(15-5-4-8-27-14-15)30-23(18)28-16-6-3-7-17(11-16)34-24(25)26/h3-8,11-14,24H,9-10H2,1-2H3,(H,28,29,30).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine?
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 468.46 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).