6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C18H14ClN7 — CID 171383719

IUPAC6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESClc1cccc2c1[nH]c1nc(N/N=C3\CCCc4cccnc43)nnc12
InChIInChI=1S/C18H14ClN7/c19-12-7-2-6-11-15(12)21-17-16(11)24-26-18(22-17)25-23-13-8-1-4-10-5-3-9-20-14(10)13/h2-3,5-7,9H,1,4,8H2,(H2,21,22,25,26)/b23-13+
InChIKeyFRVMPVDMWQFXCC-YDZHTSKRSA-N
MW363.81 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 171383719) has the molecular formula C18H14ClN7 and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID171383719
Molecular FormulaC18H14ClN7
Molecular Weight363.81 g/mol
Exact Mass363.10
IUPAC Name6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESClc1cccc2c1[nH]c1nc(N/N=C3\CCCc4cccnc43)nnc12
InChIInChI=1S/C18H14ClN7/c19-12-7-2-6-11-15(12)21-17-16(11)24-26-18(22-17)25-23-13-8-1-4-10-5-3-9-20-14(10)13/h2-3,5-7,9H,1,4,8H2,(H2,21,22,25,26)/b23-13+
InChIKeyFRVMPVDMWQFXCC-YDZHTSKRSA-N
XLogP3.71
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 171383719) is 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Clc1cccc2c1[nH]c1nc(N/N=C3\CCCc4cccnc43)nnc12.
What is the InChIKey of 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is FRVMPVDMWQFXCC-YDZHTSKRSA-N. The full InChI is InChI=1S/C18H14ClN7/c19-12-7-2-6-11-15(12)21-17-16(11)24-26-18(22-17)25-23-13-8-1-4-10-5-3-9-20-14(10)13/h2-3,5-7,9H,1,4,8H2,(H2,21,22,25,26)/b23-13+.
What are the key properties of 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 363.81 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 171383719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).