2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide

C18H16ClN3O3S — CID 10430450

IUPAC2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C18H16ClN3O3S/c19-15-9-11-8-12(21-17(11)26-15)16(24)20-13-7-10-3-1-2-4-14(10)22(5-6-23)18(13)25/h1-4,8-9,13,21,23H,5-7H2,(H,20,24)
InChIKeyXJUVOPKVNMAOHD-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide

2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 10430450) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID10430450
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C18H16ClN3O3S/c19-15-9-11-8-12(21-17(11)26-15)16(24)20-13-7-10-3-1-2-4-14(10)22(5-6-23)18(13)25/h1-4,8-9,13,21,23H,5-7H2,(H,20,24)
InChIKeyXJUVOPKVNMAOHD-UHFFFAOYSA-N
XLogP2.56
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-{1-[(hydroxycarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10002122
2-chloro-N-(1-{[(2-hydroxyethyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10026604
2-chloro-N-{1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10094429
2-Chloro-N-{1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10096946
2-Chloro-N-[1-(3-hydroxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10250607
2-chloro-N-{1-[(dimethylcarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10410468
2-Chloro-N-[1-(carbamoylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10476254
3,4-dihydro-2-quinolone (DHQ) derivative, 6
CID 10478142
2-chloro-N-(1-{[(1,3-dihydroxypropan-2-yl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 11754770
2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 15991547
2-chloro-N-[(3S)-1-[(2S)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 24901660
3,4-dihydro-2-quinolone (DHQ) derivative, 9
CID 9980551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 10430450) is 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is O=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is XJUVOPKVNMAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-15-9-11-8-12(21-17(11)26-15)16(24)20-13-7-10-3-1-2-4-14(10)22(5-6-23)18(13)25/h1-4,8-9,13,21,23H,5-7H2,(H,20,24).
What are the key properties of 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10430450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).