N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide

C18H19N3O2S — CID 135429075

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1
InChIInChI=1S/C18H19N3O2S/c1-2-6-17(22)21(11-13-7-5-10-24-13)12-16-19-15-9-4-3-8-14(15)18(23)20-16/h3-5,7-10H,2,6,11-12H2,1H3,(H,19,20,23)
InChIKeyWYBXOMRPJABCQX-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.31
Rot. Bonds6

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 135429075) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
PubChem CID135429075
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1
InChIInChI=1S/C18H19N3O2S/c1-2-6-17(22)21(11-13-7-5-10-24-13)12-16-19-15-9-4-3-8-14(15)18(23)20-16/h3-5,7-10H,2,6,11-12H2,1H3,(H,19,20,23)
InChIKeyWYBXOMRPJABCQX-UHFFFAOYSA-N
XLogP3.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135549132
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831887
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 135821176
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide (CID 135429075) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide is CCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is WYBXOMRPJABCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-6-17(22)21(11-13-7-5-10-24-13)12-16-19-15-9-4-3-8-14(15)18(23)20-16/h3-5,7-10H,2,6,11-12H2,1H3,(H,19,20,23).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 341.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 135429075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).