N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C18H25N3O3 — CID 137137335

IUPACN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-3-12(2)15(11-22)20-17(23)10-6-9-16-19-14-8-5-4-7-13(14)18(24)21-16/h4-5,7-8,12,15,22H,3,6,9-11H2,1-2H3,(H,20,23)(H,19,21,24)/t12-,15+/m0/s1
InChIKeyGXYCTYMOYWBPLY-SWLSCSKDSA-N
MW331.42 g/mol
LogP1.77
Rot. Bonds8

About N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137137335) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137137335
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-3-12(2)15(11-22)20-17(23)10-6-9-16-19-14-8-5-4-7-13(14)18(24)21-16/h4-5,7-8,12,15,22H,3,6,9-11H2,1-2H3,(H,20,23)(H,19,21,24)/t12-,15+/m0/s1
InChIKeyGXYCTYMOYWBPLY-SWLSCSKDSA-N
XLogP1.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520
2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
tert-butyl N-[(2S)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]hexyl]carbamate
CID 136817033
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137137335) is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CC[C@H](C)[C@@H](CO)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is GXYCTYMOYWBPLY-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-12(2)15(11-22)20-17(23)10-6-9-16-19-14-8-5-4-7-13(14)18(24)21-16/h4-5,7-8,12,15,22H,3,6,9-11H2,1-2H3,(H,20,23)(H,19,21,24)/t12-,15+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137137335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).