N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide

C23H26N4O — CID 67061464

IUPACN-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1-c1ccc2nc(NC(C)C)ncc2c1
InChIInChI=1S/C23H26N4O/c1-14(2)25-23-24-13-18-11-17(8-10-21(18)27-23)20-12-19(9-7-15(20)3)26-22(28)16-5-4-6-16/h7-14,16H,4-6H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyUDDYAAXBMIFZBU-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.16
Rot. Bonds5

About N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide

N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide (PubChem CID 67061464) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide
PubChem CID67061464
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1-c1ccc2nc(NC(C)C)ncc2c1
InChIInChI=1S/C23H26N4O/c1-14(2)25-23-24-13-18-11-17(8-10-21(18)27-23)20-12-19(9-7-15(20)3)26-22(28)16-5-4-6-16/h7-14,16H,4-6H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyUDDYAAXBMIFZBU-UHFFFAOYSA-N
XLogP5.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
(2R)-N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 57411209
3-[2-(propan-2-ylamino)quinazolin-6-yl]benzoic acid
CID 67061417
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
N-[(1S,2R)-2-[[6-[5-(dimethylsulfamoyl)-2-methylphenyl]quinazolin-2-yl]amino]cyclopentyl]prop-2-ynamide
CID 118041400
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
2-fluoro-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829062
N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-4-carboxamide
CID 71583271
N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 53014777

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide (CID 67061464) is N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide is Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc2nc(NC(C)C)ncc2c1.
What is the InChIKey of N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is UDDYAAXBMIFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-14(2)25-23-24-13-18-11-17(8-10-21(18)27-23)20-12-19(9-7-15(20)3)26-22(28)16-5-4-6-16/h7-14,16H,4-6H2,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide?
N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-(propan-2-ylamino)quinazolin-6-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 67061464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).