N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one

C23H28N4O3 — CID 144584648

IUPACN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1.O=c1cc[nH]cc1
InChIInChI=1S/C18H23N3O2.C5H5NO/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;7-5-1-3-6-4-2-5/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-4H,(H,6,7)
InChIKeyWWZFIADZPLWEKT-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.07
Rot. Bonds5

About N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one

N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one (PubChem CID 144584648) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
PubChem CID144584648
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1.O=c1cc[nH]cc1
InChIInChI=1S/C18H23N3O2.C5H5NO/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;7-5-1-3-6-4-2-5/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-4H,(H,6,7)
InChIKeyWWZFIADZPLWEKT-UHFFFAOYSA-N
XLogP3.07
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one?
The IUPAC name of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one (CID 144584648) is N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one.
What is the SMILES notation for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one?
The canonical SMILES for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one is O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1.O=c1cc[nH]cc1.
What is the InChIKey of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one?
The InChIKey is WWZFIADZPLWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C5H5NO/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;7-5-1-3-6-4-2-5/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-4H,(H,6,7).
What are the key properties of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one?
N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one has a molecular weight of 408.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one is sourced from PubChem (CID 144584648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).