N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid

C18H25N3O5 — CID 44522023

IUPACN-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid
SMILESCOc1ccc2c(C)cc(NCCCN(C)C)nc2c1.O=C(O)C(=O)O
InChIInChI=1S/C16H23N3O.C2H2O4/c1-12-10-16(17-8-5-9-19(2)3)18-15-11-13(20-4)6-7-14(12)15;3-1(4)2(5)6/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyIVLCBSBICNJNLO-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.07
Rot. Bonds6

About N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid

N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid (PubChem CID 44522023) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid.

Molecular Properties

Compound NameN-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid
PubChem CID44522023
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid
SMILESCOc1ccc2c(C)cc(NCCCN(C)C)nc2c1.O=C(O)C(=O)O
InChIInChI=1S/C16H23N3O.C2H2O4/c1-12-10-16(17-8-5-9-19(2)3)18-15-11-13(20-4)6-7-14(12)15;3-1(4)2(5)6/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyIVLCBSBICNJNLO-UHFFFAOYSA-N
XLogP2.07
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
CID 135609775
7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
CID 24805873
N,N-diethyl-4-methoxyquinazolin-2-amine;oxalic acid
CID 49859834
N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
2-(Benzylamino)-4-methylquinolin-7-ol
CID 135857476
2-[4-(4-Fluorophenyl)-1-piperazinyl]-7-methoxy-4-methylquinoline
CID 1368209
(1S,3S)-N1-(3-(trifluoromethoxy)benzyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11419776
4-N-butyl-5-methoxyquinazoline-2,4-diamine
CID 71041655
(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol
CID 71041800
4-N-butyl-7-methoxyquinazoline-2,4-diamine
CID 71041867
(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]heptan-1-ol
CID 89992295
2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide
CID 141498081

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid?
The IUPAC name of N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid (CID 44522023) is N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid.
What is the SMILES notation for N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid?
The canonical SMILES for N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid is COc1ccc2c(C)cc(NCCCN(C)C)nc2c1.O=C(O)C(=O)O.
What is the InChIKey of N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid?
The InChIKey is IVLCBSBICNJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.C2H2O4/c1-12-10-16(17-8-5-9-19(2)3)18-15-11-13(20-4)6-7-14(12)15;3-1(4)2(5)6/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,18);(H,3,4)(H,5,6).
What are the key properties of N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid?
N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid has a molecular weight of 363.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-methylquinolin-2-yl)-N',N'-dimethylpropane-1,3-diamine;oxalic acid is sourced from PubChem (CID 44522023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).