N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C21H23N3O3 — CID 137303290

IUPACN-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOC(CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-27-18(15-8-3-2-4-9-15)14-22-20(25)13-7-12-19-23-17-11-6-5-10-16(17)21(26)24-19/h2-6,8-11,18H,7,12-14H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyDENKSXLOPHFWSF-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.75
Rot. Bonds8

About N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137303290) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137303290
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOC(CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-27-18(15-8-3-2-4-9-15)14-22-20(25)13-7-12-19-23-17-11-6-5-10-16(17)21(26)24-19/h2-6,8-11,18H,7,12-14H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyDENKSXLOPHFWSF-UHFFFAOYSA-N
XLogP2.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137303290) is N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is COC(CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is DENKSXLOPHFWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-18(15-8-3-2-4-9-15)14-22-20(25)13-7-12-19-23-17-11-6-5-10-16(17)21(26)24-19/h2-6,8-11,18H,7,12-14H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137303290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).