N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride

C17H19ClN2O3S — CID 120947984

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H18N2O3S.ClH/c20-13-8-18-6-11(13)7-19-17(21)15-5-10-9-22-14-4-2-1-3-12(14)16(10)23-15;/h1-5,11,13,18,20H,6-9H2,(H,19,21);1H
InChIKeyGFQOFLIJIQMDCK-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.04
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride (PubChem CID 120947984) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
PubChem CID120947984
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H18N2O3S.ClH/c20-13-8-18-6-11(13)7-19-17(21)15-5-10-9-22-14-4-2-1-3-12(14)16(10)23-15;/h1-5,11,13,18,20H,6-9H2,(H,19,21);1H
InChIKeyGFQOFLIJIQMDCK-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride (CID 120947984) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride?
The InChIKey is GFQOFLIJIQMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.ClH/c20-13-8-18-6-11(13)7-19-17(21)15-5-10-9-22-14-4-2-1-3-12(14)16(10)23-15;/h1-5,11,13,18,20H,6-9H2,(H,19,21);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120947984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).