7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one

C26H26N2O4 — CID 18771355

IUPAC7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one
SMILESCOc1ccc(CNc2cc(OC)cc3c2c(=O)c(-c2ccc(OC)cc2)cn3C)cc1
InChIInChI=1S/C26H26N2O4/c1-28-16-22(18-7-11-20(31-3)12-8-18)26(29)25-23(13-21(32-4)14-24(25)28)27-15-17-5-9-19(30-2)10-6-17/h5-14,16,27H,15H2,1-4H3
InChIKeyTZXKZXNVHDVWHJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.84
Rot. Bonds7

About 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one

7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one (PubChem CID 18771355) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one
PubChem CID18771355
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one
SMILESCOc1ccc(CNc2cc(OC)cc3c2c(=O)c(-c2ccc(OC)cc2)cn3C)cc1
InChIInChI=1S/C26H26N2O4/c1-28-16-22(18-7-11-20(31-3)12-8-18)26(29)25-23(13-21(32-4)14-24(25)28)27-15-17-5-9-19(30-2)10-6-17/h5-14,16,27H,15H2,1-4H3
InChIKeyTZXKZXNVHDVWHJ-UHFFFAOYSA-N
XLogP4.84
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(dimethylamino)ethylamino]-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 18771394
5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 18771399
7-methoxy-3-(4-methoxyphenyl)-1-methyl-5-morpholin-4-ylquinolin-4-one
CID 18771363
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 18771387
4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 15144251
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 129093387
4-[2-[(4-methoxyphenyl)methylamino]phenyl]benzonitrile
CID 122184594
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one (CID 18771355) is 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one is COc1ccc(CNc2cc(OC)cc3c2c(=O)c(-c2ccc(OC)cc2)cn3C)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one?
The InChIKey is TZXKZXNVHDVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-28-16-22(18-7-11-20(31-3)12-8-18)26(29)25-23(13-21(32-4)14-24(25)28)27-15-17-5-9-19(30-2)10-6-17/h5-14,16,27H,15H2,1-4H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one?
7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one has a molecular weight of 430.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one is sourced from PubChem (CID 18771355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).