(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C22H23N5O — CID 50942118

IUPAC(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
InChIKeyZYRYBBGMNLVUJU-IBGZPJMESA-N
MW373.46 g/mol
LogP4.09
Rot. Bonds5

About (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 50942118) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID50942118
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
InChIKeyZYRYBBGMNLVUJU-IBGZPJMESA-N
XLogP4.09
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine
CID 154632594
N-[[2-(aminomethyl)-3-furyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53321859
N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53324117
N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine
CID 135145579
N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51361468
N-[[5-(aminomethyl)-2-furyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53323181
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-[(5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium-11-yl)amino]butan-2-one
CID 168272431
N-[[2-(aminomethyl)oxazol-4-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 21985209
2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline
CID 70649644
N-(1-phenyl-1H-imidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 137363629
2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde
CID 162669442

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 50942118) is (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is ZYRYBBGMNLVUJU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1.
What are the key properties of (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 373.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[4-(aminomethyl)furan-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 50942118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).