N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H18FN3O2S — CID 135570315

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C20H18FN3O2S/c21-14-6-3-5-12-16(10-11-27-19(12)14)23-18(25)9-8-17-22-15-7-2-1-4-13(15)20(26)24-17/h1-7,16H,8-11H2,(H,23,25)(H,22,24,26)
InChIKeySDUZZUHBJWALMF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.35
Rot. Bonds4

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135570315) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135570315
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C20H18FN3O2S/c21-14-6-3-5-12-16(10-11-27-19(12)14)23-18(25)9-8-17-22-15-7-2-1-4-13(15)20(26)24-17/h1-7,16H,8-11H2,(H,23,25)(H,22,24,26)
InChIKeySDUZZUHBJWALMF-UHFFFAOYSA-N
XLogP3.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135570315) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCSc2c(F)cccc21.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is SDUZZUHBJWALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-14-6-3-5-12-16(10-11-27-19(12)14)23-18(25)9-8-17-22-15-7-2-1-4-13(15)20(26)24-17/h1-7,16H,8-11H2,(H,23,25)(H,22,24,26).
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135570315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).