2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide

C25H30N4O5 — CID 67551519

IUPAC2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide
SMILESCOc1cc2nc(-c3ccc(N)c(C)c3CO)c(C(N)=O)cc2cc1OCCN1CCOCC1
InChIInChI=1S/C25H30N4O5/c1-15-19(14-30)17(3-4-20(15)26)24-18(25(27)31)11-16-12-23(22(32-2)13-21(16)28-24)34-10-7-29-5-8-33-9-6-29/h3-4,11-13,30H,5-10,14,26H2,1-2H3,(H2,27,31)
InChIKeyYERUJLPYKCQPMT-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.10
Rot. Bonds8

About 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide

2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide (PubChem CID 67551519) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide
PubChem CID67551519
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide
SMILESCOc1cc2nc(-c3ccc(N)c(C)c3CO)c(C(N)=O)cc2cc1OCCN1CCOCC1
InChIInChI=1S/C25H30N4O5/c1-15-19(14-30)17(3-4-20(15)26)24-18(25(27)31)11-16-12-23(22(32-2)13-21(16)28-24)34-10-7-29-5-8-33-9-6-29/h3-4,11-13,30H,5-10,14,26H2,1-2H3,(H2,27,31)
InChIKeyYERUJLPYKCQPMT-UHFFFAOYSA-N
XLogP2.10
TPSA133.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
1-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethanone
CID 130206237
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20992642
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
CID 135276214
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide?
The IUPAC name of 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide (CID 67551519) is 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide.
What is the SMILES notation for 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide?
The canonical SMILES for 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide is COc1cc2nc(-c3ccc(N)c(C)c3CO)c(C(N)=O)cc2cc1OCCN1CCOCC1.
What is the InChIKey of 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide?
The InChIKey is YERUJLPYKCQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15-19(14-30)17(3-4-20(15)26)24-18(25(27)31)11-16-12-23(22(32-2)13-21(16)28-24)34-10-7-29-5-8-33-9-6-29/h3-4,11-13,30H,5-10,14,26H2,1-2H3,(H2,27,31).
What are the key properties of 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide?
2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(hydroxymethyl)-3-methylphenyl]-7-methoxy-6-(2-morpholin-4-ylethoxy)quinoline-3-carboxamide is sourced from PubChem (CID 67551519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).