(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H25N3O2S — CID 9407484

IUPAC(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C24H25N3O2S/c1-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16(2)22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h3-7,9,11-13,16,20H,1,8,10,14-15H2,2H3,(H,25,28)/t16-,20-/m1/s1
InChIKeyIFJRQIVQWUMAJV-OXQOHEQNSA-N
MW419.55 g/mol
LogP4.26
Rot. Bonds6

About (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 9407484) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID9407484
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C24H25N3O2S/c1-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16(2)22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h3-7,9,11-13,16,20H,1,8,10,14-15H2,2H3,(H,25,28)/t16-,20-/m1/s1
InChIKeyIFJRQIVQWUMAJV-OXQOHEQNSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 16520157
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(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
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CID 7145103
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 9407484) is (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is IFJRQIVQWUMAJV-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-3-15-27-23(29)19-12-6-7-13-21(19)26-24(27)30-16(2)22(28)25-20-14-8-10-17-9-4-5-11-18(17)20/h3-7,9,11-13,16,20H,1,8,10,14-15H2,2H3,(H,25,28)/t16-,20-/m1/s1.
What are the key properties of (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 9407484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).