2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride

C24H34ClN7O4 — CID 174603325

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride
SMILESCl.NC(N)=NCCCC(N)C(=O)O.O=C(O)C1CNCCN1.c1ccc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.C6H14N4O2.C5H10N2O2.ClH/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;7-4(5(11)12)2-1-3-10-6(8)9;8-5(9)4-3-6-1-2-7-4;/h1-9H;4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6-7H,1-3H2,(H,8,9);1H
InChIKeyXHNQDFMTNCCDNS-UHFFFAOYSA-N
MW520.03 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride

2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride (PubChem CID 174603325) has the molecular formula C24H34ClN7O4 and a molecular weight of 520.03 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride
PubChem CID174603325
Molecular FormulaC24H34ClN7O4
Molecular Weight520.03 g/mol
Exact Mass519.24
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride
SMILESCl.NC(N)=NCCCC(N)C(=O)O.O=C(O)C1CNCCN1.c1ccc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.C6H14N4O2.C5H10N2O2.ClH/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;7-4(5(11)12)2-1-3-10-6(8)9;8-5(9)4-3-6-1-2-7-4;/h1-9H;4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6-7H,1-3H2,(H,8,9);1H
InChIKeyXHNQDFMTNCCDNS-UHFFFAOYSA-N
XLogP0.89
TPSA201.97 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.03
LogP ≤ 50.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride (CID 174603325) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride is Cl.NC(N)=NCCCC(N)C(=O)O.O=C(O)C1CNCCN1.c1ccc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride?
The InChIKey is XHNQDFMTNCCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C6H14N4O2.C5H10N2O2.ClH/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;7-4(5(11)12)2-1-3-10-6(8)9;8-5(9)4-3-6-1-2-7-4;/h1-9H;4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6-7H,1-3H2,(H,8,9);1H.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride?
2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride has a molecular weight of 520.03 g/mol, XLogP of 0.89, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 174603325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).