4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid

C15H13N3O2S — CID 63868698

IUPAC4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
SMILESCC(Nc1nc(C(=O)O)nc2ccccc12)c1ccsc1
InChIInChI=1S/C15H13N3O2S/c1-9(10-6-7-21-8-10)16-13-11-4-2-3-5-12(11)17-14(18-13)15(19)20/h2-9H,1H3,(H,19,20)(H,16,17,18)
InChIKeyPGUSDHBLOSFXBF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.56
Rot. Bonds4

About 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid

4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid (PubChem CID 63868698) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
PubChem CID63868698
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
SMILESCC(Nc1nc(C(=O)O)nc2ccccc12)c1ccsc1
InChIInChI=1S/C15H13N3O2S/c1-9(10-6-7-21-8-10)16-13-11-4-2-3-5-12(11)17-14(18-13)15(19)20/h2-9H,1H3,(H,19,20)(H,16,17,18)
InChIKeyPGUSDHBLOSFXBF-UHFFFAOYSA-N
XLogP3.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-thiophen-3-ylethylamino)isoquinoline-3-carboxylic acid
CID 62844593
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
CID 105382273
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62845332
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid (CID 63868698) is 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid is CC(Nc1nc(C(=O)O)nc2ccccc12)c1ccsc1.
What is the InChIKey of 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid?
The InChIKey is PGUSDHBLOSFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(10-6-7-21-8-10)16-13-11-4-2-3-5-12(11)17-14(18-13)15(19)20/h2-9H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid?
4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 63868698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).