N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide

C29H38N4O3 — CID 11576791

IUPACN-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2c(=O)n(-c3ccc(OCCCN4CCCCC4)cc3)c(C)nc2c1
InChIInChI=1S/C29H38N4O3/c1-3-4-6-10-28(34)31-23-11-16-26-27(21-23)30-22(2)33(29(26)35)24-12-14-25(15-13-24)36-20-9-19-32-17-7-5-8-18-32/h11-16,21H,3-10,17-20H2,1-2H3,(H,31,34)
InChIKeyOQKHHWFLVJKHOM-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.47
Rot. Bonds11

About N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide

N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide (PubChem CID 11576791) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide.

Molecular Properties

Compound NameN-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide
PubChem CID11576791
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2c(=O)n(-c3ccc(OCCCN4CCCCC4)cc3)c(C)nc2c1
InChIInChI=1S/C29H38N4O3/c1-3-4-6-10-28(34)31-23-11-16-26-27(21-23)30-22(2)33(29(26)35)24-12-14-25(15-13-24)36-20-9-19-32-17-7-5-8-18-32/h11-16,21H,3-10,17-20H2,1-2H3,(H,31,34)
InChIKeyOQKHHWFLVJKHOM-UHFFFAOYSA-N
XLogP5.47
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-6-yl]methanesulfonamide
CID 11547318
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 59868948
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
6-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
CID 150607946
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide?
The IUPAC name of N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide (CID 11576791) is N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide.
What is the SMILES notation for N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide?
The canonical SMILES for N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide is CCCCCC(=O)Nc1ccc2c(=O)n(-c3ccc(OCCCN4CCCCC4)cc3)c(C)nc2c1.
What is the InChIKey of N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide?
The InChIKey is OQKHHWFLVJKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-3-4-6-10-28(34)31-23-11-16-26-27(21-23)30-22(2)33(29(26)35)24-12-14-25(15-13-24)36-20-9-19-32-17-7-5-8-18-32/h11-16,21H,3-10,17-20H2,1-2H3,(H,31,34).
What are the key properties of N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide?
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide has a molecular weight of 490.65 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide is sourced from PubChem (CID 11576791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).