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

C22H26N4O3S — CID 142801764

IUPACN-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCc1cc2cc(C(=O)NC3Cc4ccccc4N(CC(O)CN(C)C)C3=O)[nH]c2s1
InChIInChI=1S/C22H26N4O3S/c1-13-8-15-10-17(24-21(15)30-13)20(28)23-18-9-14-6-4-5-7-19(14)26(22(18)29)12-16(27)11-25(2)3/h4-8,10,16,18,24,27H,9,11-12H2,1-3H3,(H,23,28)
InChIKeyFOOWTGCPWRHSMC-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.15
Rot. Bonds6

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

N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 142801764) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID142801764
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCc1cc2cc(C(=O)NC3Cc4ccccc4N(CC(O)CN(C)C)C3=O)[nH]c2s1
InChIInChI=1S/C22H26N4O3S/c1-13-8-15-10-17(24-21(15)30-13)20(28)23-18-9-14-6-4-5-7-19(14)26(22(18)29)12-16(27)11-25(2)3/h4-8,10,16,18,24,27H,9,11-12H2,1-3H3,(H,23,28)
InChIKeyFOOWTGCPWRHSMC-UHFFFAOYSA-N
XLogP2.15
TPSA88.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 142801763
2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58721826
2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 143009843
2-chloro-N-[4-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-3-oxo-2,4-dihydro-1H-naphthalen-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58816548
N-[1-(2-amino-2-hydroxyiminoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 72994312
2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
CID 143006205
2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58757480
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 70129962
2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 11668873
5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide
CID 143235852
2-[1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 161455999

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 142801764) is N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is Cc1cc2cc(C(=O)NC3Cc4ccccc4N(CC(O)CN(C)C)C3=O)[nH]c2s1.
What is the InChIKey of N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is FOOWTGCPWRHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-13-8-15-10-17(24-21(15)30-13)20(28)23-18-9-14-6-4-5-7-19(14)26(22(18)29)12-16(27)11-25(2)3/h4-8,10,16,18,24,27H,9,11-12H2,1-3H3,(H,23,28).
What are the key properties of N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 142801764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).