4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C22H19N5O3 — CID 57394291

IUPAC4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H19N5O3/c1-23-21(28)20-12-18(9-10-24-20)30-17-7-8-19-14(11-17)13-25-22(27-19)26-15-3-5-16(29-2)6-4-15/h3-13H,1-2H3,(H,23,28)(H,25,26,27)
InChIKeyASWKLFMEBXMNBX-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.93
Rot. Bonds6

About 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 57394291) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID57394291
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H19N5O3/c1-23-21(28)20-12-18(9-10-24-20)30-17-7-8-19-14(11-17)13-25-22(27-19)26-15-3-5-16(29-2)6-4-15/h3-13H,1-2H3,(H,23,28)(H,25,26,27)
InChIKeyASWKLFMEBXMNBX-UHFFFAOYSA-N
XLogP3.93
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548194
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548236
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(2-methoxyethoxy)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548311
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CID 59174579
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
2-(Methylamino)pyrimidine 58
CID 16108997
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 57394291) is 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC)cc4)ncc3c2)ccn1.
What is the InChIKey of 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is ASWKLFMEBXMNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-23-21(28)20-12-18(9-10-24-20)30-17-7-8-19-14(11-17)13-25-22(27-19)26-15-3-5-16(29-2)6-4-15/h3-13H,1-2H3,(H,23,28)(H,25,26,27).
What are the key properties of 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 57394291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).