4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide

C21H17N5O2 — CID 57399505

IUPAC4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)ncc3c2)ccn1
InChIInChI=1S/C21H17N5O2/c1-22-20(27)19-12-17(9-10-23-19)28-16-7-8-18-14(11-16)13-24-21(26-18)25-15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,24,25,26)
InChIKeyKLGCARLRFLDLDP-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.92
Rot. Bonds5

About 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide

4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide (PubChem CID 57399505) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
PubChem CID57399505
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)ncc3c2)ccn1
InChIInChI=1S/C21H17N5O2/c1-22-20(27)19-12-17(9-10-23-19)28-16-7-8-18-14(11-16)13-24-21(26-18)25-15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,24,25,26)
InChIKeyKLGCARLRFLDLDP-UHFFFAOYSA-N
XLogP3.92
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254896
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 59254883
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
4-[2-(2-bicyclo[2.2.1]heptanylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254869
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide
CID 157203649
4-[4-[[5-(dimethylamino)-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 141353963

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide (CID 57399505) is 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)ncc3c2)ccn1.
What is the InChIKey of 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide?
The InChIKey is KLGCARLRFLDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-22-20(27)19-12-17(9-10-23-19)28-16-7-8-18-14(11-16)13-24-21(26-18)25-15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,24,25,26).
What are the key properties of 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide?
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 57399505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).