[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone

C26H24FN5O3 — CID 144501047

IUPAC[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(Nc3ccc(F)c(C)c3)nc(-c3cccnc3)nc2cc1C(=O)N1CCOCC1
InChIInChI=1S/C26H24FN5O3/c1-16-12-18(5-6-21(16)27)29-25-19-14-23(34-2)20(26(33)32-8-10-35-11-9-32)13-22(19)30-24(31-25)17-4-3-7-28-15-17/h3-7,12-15H,8-11H2,1-2H3,(H,29,30,31)
InChIKeyZWDJEVFLEXOXFD-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.36
Rot. Bonds5

About [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone

[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone (PubChem CID 144501047) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
PubChem CID144501047
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(Nc3ccc(F)c(C)c3)nc(-c3cccnc3)nc2cc1C(=O)N1CCOCC1
InChIInChI=1S/C26H24FN5O3/c1-16-12-18(5-6-21(16)27)29-25-19-14-23(34-2)20(26(33)32-8-10-35-11-9-32)13-22(19)30-24(31-25)17-4-3-7-28-15-17/h3-7,12-15H,8-11H2,1-2H3,(H,29,30,31)
InChIKeyZWDJEVFLEXOXFD-UHFFFAOYSA-N
XLogP4.36
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone 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

7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144501523
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180599
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 164550519
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
CID 169095615
N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 25011913

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone (CID 144501047) is [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone is COc1cc2c(Nc3ccc(F)c(C)c3)nc(-c3cccnc3)nc2cc1C(=O)N1CCOCC1.
What is the InChIKey of [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is ZWDJEVFLEXOXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-16-12-18(5-6-21(16)27)29-25-19-14-23(34-2)20(26(33)32-8-10-35-11-9-32)13-22(19)30-24(31-25)17-4-3-7-28-15-17/h3-7,12-15H,8-11H2,1-2H3,(H,29,30,31).
What are the key properties of [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone?
[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 473.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 144501047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).