(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid

Name: (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₆N₂O₂S — CID 9118406

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid

SMILESC[C@@H](Sc1nc(/C=C/c2ccccc2)nc2ccccc12)C(=O)O

InChIInChI=1S/C19H16N2O2S/c1-13(19(22)23)24-18-15-9-5-6-10-16(15)20-17(21-18)12-11-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)/b12-11+/t13-/m1/s1

InChIKeyKTEGPCSUSBBSMN-XZHRJIJLSA-N

MW336.42 g/mol

LogP4.37

Rot. Bonds5

About (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid

(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid (PubChem CID 9118406) has the molecular formula C₁₉H₁₆N₂O₂S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name	(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid
PubChem CID	9118406
Molecular Formula	C₁₉H₁₆N₂O₂S
Molecular Weight	336.42 g/mol
Exact Mass	336.09
IUPAC Name	(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid
SMILES	C[C@@H](Sc1nc(/C=C/c2ccccc2)nc2ccccc12)C(=O)O
InChI	InChI=1S/C19H16N2O2S/c1-13(19(22)23)24-18-15-9-5-6-10-16(15)20-17(21-18)12-11-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)/b12-11+/t13-/m1/s1
InChIKey	KTEGPCSUSBBSMN-XZHRJIJLSA-N
XLogP	4.37
TPSA	63.08 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.42
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid?

The IUPAC name of (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid (CID 9118406) is (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid.

What is the SMILES notation for (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid?

The canonical SMILES for (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid is C[C@@H](Sc1nc(/C=C/c2ccccc2)nc2ccccc12)C(=O)O.

What is the InChIKey of (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid?

The InChIKey is KTEGPCSUSBBSMN-XZHRJIJLSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13(19(22)23)24-18-15-9-5-6-10-16(15)20-17(21-18)12-11-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)/b12-11+/t13-/m1/s1.

What are the key properties of (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid?

(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid has a molecular weight of 336.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid is sourced from PubChem (CID 9118406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 9118406 — identifiers, structure, computed properties (public domain)

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