[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid

C19H20N4O4 — CID 139490412

IUPAC[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
SMILESCOc1cc2ncc(N)c(NCc3ccc(NC(=O)O)cc3)c2cc1OC
InChIInChI=1S/C19H20N4O4/c1-26-16-7-13-15(8-17(16)27-2)21-10-14(20)18(13)22-9-11-3-5-12(6-4-11)23-19(24)25/h3-8,10,23H,9,20H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyVHKVGIPOHMQNAD-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.54
Rot. Bonds6

About [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid

[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid (PubChem CID 139490412) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
PubChem CID139490412
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
SMILESCOc1cc2ncc(N)c(NCc3ccc(NC(=O)O)cc3)c2cc1OC
InChIInChI=1S/C19H20N4O4/c1-26-16-7-13-15(8-17(16)27-2)21-10-14(20)18(13)22-9-11-3-5-12(6-4-11)23-19(24)25/h3-8,10,23H,9,20H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyVHKVGIPOHMQNAD-UHFFFAOYSA-N
XLogP3.54
TPSA118.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid with MolForge

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Related Compounds

4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
[4-[2-[(4-ethylphenyl)methylamino]-3-methoxyphenyl]phenyl]carbamic acid
CID 142776008
tert-butyl N-[[4-[(6,7-dimethoxy-3-nitroquinolin-4-yl)amino]phenyl]methyl]carbamate
CID 149091574
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
CID 139490700
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
CID 19754489
4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 22222239
[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
CID 69171636
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
CID 139505183
6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
CID 170764490

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid?
The IUPAC name of [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid (CID 139490412) is [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid?
The canonical SMILES for [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid is COc1cc2ncc(N)c(NCc3ccc(NC(=O)O)cc3)c2cc1OC.
What is the InChIKey of [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid?
The InChIKey is VHKVGIPOHMQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-26-16-7-13-15(8-17(16)27-2)21-10-14(20)18(13)22-9-11-3-5-12(6-4-11)23-19(24)25/h3-8,10,23H,9,20H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid?
[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid has a molecular weight of 368.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid is sourced from PubChem (CID 139490412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).