4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

C27H27N5O2 — CID 91241125

IUPAC4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(Nc4ccc(C5CCCCC5)cc4)ncc3c2)ccn1
InChIInChI=1S/C27H27N5O2/c28-26(33)25-14-18(12-13-29-25)17-34-23-10-11-24-21(15-23)16-30-27(32-24)31-22-8-6-20(7-9-22)19-4-2-1-3-5-19/h6-16,19H,1-5,17H2,(H2,28,33)(H,30,31,32)
InChIKeyYPXMPNZMZOOICH-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.49
Rot. Bonds7

About 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 91241125) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID91241125
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(Nc4ccc(C5CCCCC5)cc4)ncc3c2)ccn1
InChIInChI=1S/C27H27N5O2/c28-26(33)25-14-18(12-13-29-25)17-34-23-10-11-24-21(15-23)16-30-27(32-24)31-22-8-6-20(7-9-22)19-4-2-1-3-5-19/h6-16,19H,1-5,17H2,(H2,28,33)(H,30,31,32)
InChIKeyYPXMPNZMZOOICH-UHFFFAOYSA-N
XLogP5.49
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91027068
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 68536358
6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
CID 90936234
4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 90947284
7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 159115013
4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 123476978
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
4-[[2-(4-bromo-3-fluoroanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 91251699
4-[[2-[4-chloro-3-[(1-methylpyrrolidin-2-yl)methoxy]anilino]-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 57484469
1-[3-[[2-(4-cyclohexylanilino)pyrimidin-5-yl]oxymethyl]-4-fluoro-5-methoxyphenyl]propan-1-one
CID 158882074
4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 167266688
4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 91196797

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (CID 91241125) is 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc3nc(Nc4ccc(C5CCCCC5)cc4)ncc3c2)ccn1.
What is the InChIKey of 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is YPXMPNZMZOOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c28-26(33)25-14-18(12-13-29-25)17-34-23-10-11-24-21(15-23)16-30-27(32-24)31-22-8-6-20(7-9-22)19-4-2-1-3-5-19/h6-16,19H,1-5,17H2,(H2,28,33)(H,30,31,32).
What are the key properties of 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91241125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).