N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

C19H23N5O — CID 20925636

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1
InChIInChI=1S/C19H23N5O/c1-23-9-11-24(12-10-23)8-7-21-19(25)16-13-15-5-4-14-3-2-6-20-17(14)18(15)22-16/h2-6,13,22H,7-12H2,1H3,(H,21,25)
InChIKeyTUDFEQATLUXOMN-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (PubChem CID 20925636) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
PubChem CID20925636
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1
InChIInChI=1S/C19H23N5O/c1-23-9-11-24(12-10-23)8-7-21-19(25)16-13-15-5-4-14-3-2-6-20-17(14)18(15)22-16/h2-6,13,22H,7-12H2,1H3,(H,21,25)
InChIKeyTUDFEQATLUXOMN-UHFFFAOYSA-N
XLogP1.69
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

LY-517717
CID 9939865
FG-7142
CID 4375
Phen-DC 3
CID 44449504
Delavuridine
CID 72346
1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454726
Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454727
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217
Parvine
CID 320217
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (CID 20925636) is N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is CN1CCN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The InChIKey is TUDFEQATLUXOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23-9-11-24(12-10-23)8-7-21-19(25)16-13-15-5-4-14-3-2-6-20-17(14)18(15)22-16/h2-6,13,22H,7-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is sourced from PubChem (CID 20925636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).