7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide

C25H33N5O — CID 146395128

IUPAC7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)Nc1ccc3c(c1)CC(CN1CCN(C)CC1)NC3)C2
InChIInChI=1S/C25H33N5O/c1-17-4-3-5-18-14-23(28-24(17)18)25(31)27-21-7-6-19-15-26-22(13-20(19)12-21)16-30-10-8-29(2)9-11-30/h3-7,12,22-23,26,28H,8-11,13-16H2,1-2H3,(H,27,31)
InChIKeyVTBDCXDDYFKFDP-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.23
Rot. Bonds4

About 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide

7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395128) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395128
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)Nc1ccc3c(c1)CC(CN1CCN(C)CC1)NC3)C2
InChIInChI=1S/C25H33N5O/c1-17-4-3-5-18-14-23(28-24(17)18)25(31)27-21-7-6-19-15-26-22(13-20(19)12-21)16-30-10-8-29(2)9-11-30/h3-7,12,22-23,26,28H,8-11,13-16H2,1-2H3,(H,27,31)
InChIKeyVTBDCXDDYFKFDP-UHFFFAOYSA-N
XLogP2.23
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644417
N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394587
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
(3S)-N-(3-iodo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896209
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271748
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
N-(3-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43124629
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 146395501
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395128) is 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)Nc1ccc3c(c1)CC(CN1CCN(C)CC1)NC3)C2.
What is the InChIKey of 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VTBDCXDDYFKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-17-4-3-5-18-14-23(28-24(17)18)25(31)27-21-7-6-19-15-26-22(13-20(19)12-21)16-30-10-8-29(2)9-11-30/h3-7,12,22-23,26,28H,8-11,13-16H2,1-2H3,(H,27,31).
What are the key properties of 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?
7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).