N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide

C28H29N5O2 — CID 71179886

IUPACN-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)NC4CCCCC4)c3)cc12
InChIInChI=1S/C28H29N5O2/c1-29-28-24-16-20(12-13-25(24)32-27(33-28)21-8-6-14-30-17-21)19-7-5-11-23(15-19)35-18-26(34)31-22-9-3-2-4-10-22/h5-8,11-17,22H,2-4,9-10,18H2,1H3,(H,31,34)(H,29,32,33)
InChIKeyILOOPHOPBZFMOW-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.23
Rot. Bonds7

About N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide

N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide (PubChem CID 71179886) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
PubChem CID71179886
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)NC4CCCCC4)c3)cc12
InChIInChI=1S/C28H29N5O2/c1-29-28-24-16-20(12-13-25(24)32-27(33-28)21-8-6-14-30-17-21)19-7-5-11-23(15-19)35-18-26(34)31-22-9-3-2-4-10-22/h5-8,11-17,22H,2-4,9-10,18H2,1H3,(H,31,34)(H,29,32,33)
InChIKeyILOOPHOPBZFMOW-UHFFFAOYSA-N
XLogP5.23
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide with MolForge

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Related Compounds

1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433
2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
CID 135127900
N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71274798
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274689
N-cyclobutyl-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 159077163
N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150547270
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide (CID 71179886) is N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)NC4CCCCC4)c3)cc12.
What is the InChIKey of N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The InChIKey is ILOOPHOPBZFMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-29-28-24-16-20(12-13-25(24)32-27(33-28)21-8-6-14-30-17-21)19-7-5-11-23(15-19)35-18-26(34)31-22-9-3-2-4-10-22/h5-8,11-17,22H,2-4,9-10,18H2,1H3,(H,31,34)(H,29,32,33).
What are the key properties of N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide has a molecular weight of 467.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide is sourced from PubChem (CID 71179886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).