6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

C24H24N4O3 — CID 86886035

IUPAC6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1nc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O3/c1-15-18-4-2-3-5-19(18)26-22(25-15)13-28-10-8-16(9-11-28)24(30)17-6-7-21-20(12-17)27-23(29)14-31-21/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,29)
InChIKeyWQCLUFDFFBXVBD-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.36
Rot. Bonds4

About 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 86886035) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID86886035
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1nc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O3/c1-15-18-4-2-3-5-19(18)26-22(25-15)13-28-10-8-16(9-11-28)24(30)17-6-7-21-20(12-17)27-23(29)14-31-21/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,29)
InChIKeyWQCLUFDFFBXVBD-UHFFFAOYSA-N
XLogP3.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886037
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide
CID 46953243
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960684
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886257
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960676
6-[1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51598794
[1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 42933616
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
6-[1-[3-(furan-2-yl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960659

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (CID 86886035) is 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is Cc1nc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12.
What is the InChIKey of 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WQCLUFDFFBXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-18-4-2-3-5-19(18)26-22(25-15)13-28-10-8-16(9-11-28)24(30)17-6-7-21-20(12-17)27-23(29)14-31-21/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,29).
What are the key properties of 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 416.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 86886035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).