N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C18H26N4O2 — CID 135939335

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N(C)C
InChIInChI=1S/C18H26N4O2/c1-12(2)15(22(3)4)11-19-17(23)10-9-16-20-14-8-6-5-7-13(14)18(24)21-16/h5-8,12,15H,9-11H2,1-4H3,(H,19,23)(H,20,21,24)/t15-/m1/s1
InChIKeyHOXKBVGGQDJEQU-OAHLLOKOSA-N
MW330.43 g/mol
LogP1.56
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135939335) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135939335
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N(C)C
InChIInChI=1S/C18H26N4O2/c1-12(2)15(22(3)4)11-19-17(23)10-9-16-20-14-8-6-5-7-13(14)18(24)21-16/h5-8,12,15H,9-11H2,1-4H3,(H,19,23)(H,20,21,24)/t15-/m1/s1
InChIKeyHOXKBVGGQDJEQU-OAHLLOKOSA-N
XLogP1.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.56
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-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135939335) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HOXKBVGGQDJEQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)15(22(3)4)11-19-17(23)10-9-16-20-14-8-6-5-7-13(14)18(24)21-16/h5-8,12,15H,9-11H2,1-4H3,(H,19,23)(H,20,21,24)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135939335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).