N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide

C14H20N4O — CID 21186755

IUPACN-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide
SMILESCc1nc2c(cc1C(=O)N=C(N)N)CCCC2(C)C
InChIInChI=1S/C14H20N4O/c1-8-10(12(19)18-13(15)16)7-9-5-4-6-14(2,3)11(9)17-8/h7H,4-6H2,1-3H3,(H4,15,16,18,19)
InChIKeyQHNMTABQUCOLLH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds1

About N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide

N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide (PubChem CID 21186755) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide
PubChem CID21186755
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide
SMILESCc1nc2c(cc1C(=O)N=C(N)N)CCCC2(C)C
InChIInChI=1S/C14H20N4O/c1-8-10(12(19)18-13(15)16)7-9-5-4-6-14(2,3)11(9)17-8/h7H,4-6H2,1-3H3,(H4,15,16,18,19)
InChIKeyQHNMTABQUCOLLH-UHFFFAOYSA-N
XLogP1.42
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide (CID 21186755) is N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide is Cc1nc2c(cc1C(=O)N=C(N)N)CCCC2(C)C.
What is the InChIKey of N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide?
The InChIKey is QHNMTABQUCOLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-10(12(19)18-13(15)16)7-9-5-4-6-14(2,3)11(9)17-8/h7H,4-6H2,1-3H3,(H4,15,16,18,19).
What are the key properties of N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide?
N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide is sourced from PubChem (CID 21186755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).