N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide

C27H34N4O4 — CID 174654241

IUPACN-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(CN4CCC(NC(=O)CC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C27H34N4O4/c1-17(2)13-24(32)28-20-9-11-31(12-10-20)16-18-5-7-19(8-6-18)26-29-22-14-21(34-3)15-23(35-4)25(22)27(33)30-26/h5-8,14-15,17,20H,9-13,16H2,1-4H3,(H,28,32)(H,29,30,33)
InChIKeyMDZSASYMCVEBAE-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.73
Rot. Bonds8

About N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide

N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 174654241) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
PubChem CID174654241
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(CN4CCC(NC(=O)CC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C27H34N4O4/c1-17(2)13-24(32)28-20-9-11-31(12-10-20)16-18-5-7-19(8-6-18)26-29-22-14-21(34-3)15-23(35-4)25(22)27(33)30-26/h5-8,14-15,17,20H,9-13,16H2,1-4H3,(H,28,32)(H,29,30,33)
InChIKeyMDZSASYMCVEBAE-UHFFFAOYSA-N
XLogP3.73
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide with MolForge

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Related Compounds

2-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 135939108
N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
CID 135939097
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 166633689
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 141280352
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 166629023
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide (CID 174654241) is N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(CN4CCC(NC(=O)CC(C)C)CC4)cc3)nc2c1.
What is the InChIKey of N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide?
The InChIKey is MDZSASYMCVEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-17(2)13-24(32)28-20-9-11-31(12-10-20)16-18-5-7-19(8-6-18)26-29-22-14-21(34-3)15-23(35-4)25(22)27(33)30-26/h5-8,14-15,17,20H,9-13,16H2,1-4H3,(H,28,32)(H,29,30,33).
What are the key properties of N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide?
N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 478.59 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 174654241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).