4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide

C26H25N3O4 — CID 10114344

IUPAC4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1OCc1ccccc1
InChIInChI=1S/C26H25N3O4/c1-16-18(14-30)9-6-10-21(16)29-25-19-11-24(33-15-17-7-4-3-5-8-17)23(32-2)12-22(19)28-13-20(25)26(27)31/h3-13,30H,14-15H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyNSEIFVLEVTZPMT-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.47
Rot. Bonds8

About 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide

4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide (PubChem CID 10114344) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
PubChem CID10114344
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1OCc1ccccc1
InChIInChI=1S/C26H25N3O4/c1-16-18(14-30)9-6-10-21(16)29-25-19-11-24(33-15-17-7-4-3-5-8-17)23(32-2)12-22(19)28-13-20(25)26(27)31/h3-13,30H,14-15H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyNSEIFVLEVTZPMT-UHFFFAOYSA-N
XLogP4.47
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
CID 10269479
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
6-[2-(2-cyanoethylamino)ethoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87747051
7-[3-[(2S)-2,6-dimethylmorpholin-4-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550763
4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide
CID 11581983
7-[3-[(2S)-2,6-dimethylmorpholin-2-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550766
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
7-[3-(diethylamino)propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 22170238
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 69238648

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide?
The IUPAC name of 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide (CID 10114344) is 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1OCc1ccccc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide?
The InChIKey is NSEIFVLEVTZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16-18(14-30)9-6-10-21(16)29-25-19-11-24(33-15-17-7-4-3-5-8-17)23(32-2)12-22(19)28-13-20(25)26(27)31/h3-13,30H,14-15H2,1-2H3,(H2,27,31)(H,28,29).
What are the key properties of 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide?
4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide is sourced from PubChem (CID 10114344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).