ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

C30H29N5O3 — CID 143038075

IUPACethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCC.CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(OCc5ccccc5)c4)ncc3c2)ccn1
InChIInChI=1S/C28H23N5O3.C2H6/c1-29-27(34)26-16-24(12-13-30-26)36-23-10-11-25-20(14-23)17-31-28(33-25)32-21-8-5-9-22(15-21)35-18-19-6-3-2-4-7-19;1-2/h2-17H,18H2,1H3,(H,29,34)(H,31,32,33);1-2H3
InChIKeyKOCGNVGUVJJGJZ-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.53
Rot. Bonds8

About ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 143038075) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID143038075
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Nameethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCC.CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(OCc5ccccc5)c4)ncc3c2)ccn1
InChIInChI=1S/C28H23N5O3.C2H6/c1-29-27(34)26-16-24(12-13-30-26)36-23-10-11-25-20(14-23)17-31-28(33-25)32-21-8-5-9-22(15-21)35-18-19-6-3-2-4-7-19;1-2/h2-17H,18H2,1H3,(H,29,34)(H,31,32,33);1-2H3
InChIKeyKOCGNVGUVJJGJZ-UHFFFAOYSA-N
XLogP6.53
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254896
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
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-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42641176
4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155810675
4-[2-(2-bicyclo[2.2.1]heptanylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254869

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (CID 143038075) is ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is CC.CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(OCc5ccccc5)c4)ncc3c2)ccn1.
What is the InChIKey of ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is KOCGNVGUVJJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3.C2H6/c1-29-27(34)26-16-24(12-13-30-26)36-23-10-11-25-20(14-23)17-31-28(33-25)32-21-8-5-9-22(15-21)35-18-19-6-3-2-4-7-19;1-2/h2-17H,18H2,1H3,(H,29,34)(H,31,32,33);1-2H3.
What are the key properties of ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 143038075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).