N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

C22H25N3O3 — CID 52509917

IUPACN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-16(7-8-17-9-11-18(28-2)12-10-17)24-21(26)13-14-25-15-23-20-6-4-3-5-19(20)22(25)27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyFBDSQTNGRUJUSH-MRXNPFEDSA-N
MW379.46 g/mol
LogP2.93
Rot. Bonds8

About N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 52509917) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID52509917
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-16(7-8-17-9-11-18(28-2)12-10-17)24-21(26)13-14-25-15-23-20-6-4-3-5-19(20)22(25)27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyFBDSQTNGRUJUSH-MRXNPFEDSA-N
XLogP2.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 51309703
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122262436
3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
CID 136821833
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
CID 4835709
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 52509917) is N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is COc1ccc(CC[C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is FBDSQTNGRUJUSH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(7-8-17-9-11-18(28-2)12-10-17)24-21(26)13-14-25-15-23-20-6-4-3-5-19(20)22(25)27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 52509917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).