N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide

C16H15N3O3S — CID 136818121

IUPACN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCO[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccs1
InChIInChI=1S/C16H15N3O3S/c1-22-12(13-7-4-8-23-13)9-17-16(21)14-18-11-6-3-2-5-10(11)15(20)19-14/h2-8,12H,9H2,1H3,(H,17,21)(H,18,19,20)/t12-/m1/s1
InChIKeyAORVMUKCSFOIKN-GFCCVEGCSA-N
MW329.38 g/mol
LogP2.10
Rot. Bonds5

About N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136818121) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136818121
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCO[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccs1
InChIInChI=1S/C16H15N3O3S/c1-22-12(13-7-4-8-23-13)9-17-16(21)14-18-11-6-3-2-5-10(11)15(20)19-14/h2-8,12H,9H2,1H3,(H,17,21)(H,18,19,20)/t12-/m1/s1
InChIKeyAORVMUKCSFOIKN-GFCCVEGCSA-N
XLogP2.10
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136759246
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629311

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136818121) is N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide is CO[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccs1.
What is the InChIKey of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is AORVMUKCSFOIKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-12(13-7-4-8-23-13)9-17-16(21)14-18-11-6-3-2-5-10(11)15(20)19-14/h2-8,12H,9H2,1H3,(H,17,21)(H,18,19,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136818121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).