4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide

C25H29ClFN5O4 — CID 90822472

IUPAC4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCC(Oc2cc3cnc(Nc4ccc(F)c(Cl)c4)nc3cc2OC)CC1
InChIInChI=1S/C25H29ClFN5O4/c1-31(10-11-34-2)25(33)32-8-6-18(7-9-32)36-23-12-16-15-28-24(30-21(16)14-22(23)35-3)29-17-4-5-20(27)19(26)13-17/h4-5,12-15,18H,6-11H2,1-3H3,(H,28,29,30)
InChIKeyXBHUZKGKRNIMGP-UHFFFAOYSA-N
MW517.99 g/mol
LogP4.72
Rot. Bonds8

About 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide

4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide (PubChem CID 90822472) has the molecular formula C25H29ClFN5O4 and a molecular weight of 517.99 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide
PubChem CID90822472
Molecular FormulaC25H29ClFN5O4
Molecular Weight517.99 g/mol
Exact Mass517.19
IUPAC Name4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCC(Oc2cc3cnc(Nc4ccc(F)c(Cl)c4)nc3cc2OC)CC1
InChIInChI=1S/C25H29ClFN5O4/c1-31(10-11-34-2)25(33)32-8-6-18(7-9-32)36-23-12-16-15-28-24(30-21(16)14-22(23)35-3)29-17-4-5-20(27)19(26)13-17/h4-5,12-15,18H,6-11H2,1-3H3,(H,28,29,30)
InChIKeyXBHUZKGKRNIMGP-UHFFFAOYSA-N
XLogP4.72
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.99
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide 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

2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
CID 90941517
N-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmethanesulfonamide
CID 91102916
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-4-hydroxybutan-1-one
CID 58294920
N-[2-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 91019719
bis(N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmorpholine-4-carboxamide);trihydrate
CID 53353656
[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 11330434
1-[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-2-ethoxyethanone
CID 142785443
1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361
1-[4-[4-(3,4-dichloroanilino)-3-isocyano-7-methoxyquinolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155636891
(4S)-4-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-N,N,2-trimethylpyrrolidine-1-carboxamide
CID 91291086
(2S,4S)-4-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-N,N,1-trimethylpyrrolidine-2-carboxamide
CID 11213636

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide (CID 90822472) is 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide is COCCN(C)C(=O)N1CCC(Oc2cc3cnc(Nc4ccc(F)c(Cl)c4)nc3cc2OC)CC1.
What is the InChIKey of 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is XBHUZKGKRNIMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O4/c1-31(10-11-34-2)25(33)32-8-6-18(7-9-32)36-23-12-16-15-28-24(30-21(16)14-22(23)35-3)29-17-4-5-20(27)19(26)13-17/h4-5,12-15,18H,6-11H2,1-3H3,(H,28,29,30).
What are the key properties of 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide?
4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 517.99 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 90822472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).