N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H28N6 — CID 74539206

IUPACN-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCc1cnc(CNC2CCCc3cccnc32)cn1
InChIInChI=1S/C24H28N6/c1-5-17-7-3-11-25-23(17)21(9-1)29-15-19-13-28-20(14-27-19)16-30-22-10-2-6-18-8-4-12-26-24(18)22/h3-4,7-8,11-14,21-22,29-30H,1-2,5-6,9-10,15-16H2
InChIKeySOFUKJXNDNPACY-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.60
Rot. Bonds6

About N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 74539206) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID74539206
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC NameN-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCc1cnc(CNC2CCCc3cccnc32)cn1
InChIInChI=1S/C24H28N6/c1-5-17-7-3-11-25-23(17)21(9-1)29-15-19-13-28-20(14-27-19)16-30-22-10-2-6-18-8-4-12-26-24(18)22/h3-4,7-8,11-14,21-22,29-30H,1-2,5-6,9-10,15-16H2
InChIKeySOFUKJXNDNPACY-UHFFFAOYSA-N
XLogP3.60
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079632
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079238
(8S)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59761362

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 74539206) is N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2NCc1cnc(CNC2CCCc3cccnc32)cn1.
What is the InChIKey of N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is SOFUKJXNDNPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-5-17-7-3-11-25-23(17)21(9-1)29-15-19-13-28-20(14-27-19)16-30-22-10-2-6-18-8-4-12-26-24(18)22/h3-4,7-8,11-14,21-22,29-30H,1-2,5-6,9-10,15-16H2.
What are the key properties of N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 400.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 74539206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).