N-(3,4,5-trimethoxyphenyl)quinolin-2-amine

C18H18N2O3 — CID 57393025

IUPACN-(3,4,5-trimethoxyphenyl)quinolin-2-amine
SMILESCOc1cc(Nc2ccc3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O3/c1-21-15-10-13(11-16(22-2)18(15)23-3)19-17-9-8-12-6-4-5-7-14(12)20-17/h4-11H,1-3H3,(H,19,20)
InChIKeyUCQNWXRFSYJBRY-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.00
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)quinolin-2-amine

N-(3,4,5-trimethoxyphenyl)quinolin-2-amine (PubChem CID 57393025) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)quinolin-2-amine
PubChem CID57393025
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3,4,5-trimethoxyphenyl)quinolin-2-amine
SMILESCOc1cc(Nc2ccc3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O3/c1-21-15-10-13(11-16(22-2)18(15)23-3)19-17-9-8-12-6-4-5-7-14(12)20-17/h4-11H,1-3H3,(H,19,20)
InChIKeyUCQNWXRFSYJBRY-UHFFFAOYSA-N
XLogP4.00
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine
CID 146295746
N-(2-methyl-4-pyridinyl)quinolin-2-amine
CID 177055797
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
6-(2-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10137412
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
N-(3,4-difluorophenyl)quinolin-2-amine
CID 82536877
3-N-quinolin-2-ylbenzene-1,3-diamine
CID 24695043
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)quinolin-2-amine?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)quinolin-2-amine (CID 57393025) is N-(3,4,5-trimethoxyphenyl)quinolin-2-amine.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)quinolin-2-amine?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)quinolin-2-amine is COc1cc(Nc2ccc3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)quinolin-2-amine?
The InChIKey is UCQNWXRFSYJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-15-10-13(11-16(22-2)18(15)23-3)19-17-9-8-12-6-4-5-7-14(12)20-17/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3,4,5-trimethoxyphenyl)quinolin-2-amine?
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine has a molecular weight of 310.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)quinolin-2-amine is sourced from PubChem (CID 57393025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).