N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine

C21H23N7O2 — CID 141124589

IUPACN-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
SMILESCCc1c(CNc2nn[nH]n2)cccc1Nc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H23N7O2/c1-4-14-13(12-23-21-25-27-28-26-21)6-5-7-16(14)24-17-8-9-22-18-11-20(30-3)19(29-2)10-15(17)18/h5-11H,4,12H2,1-3H3,(H,22,24)(H2,23,25,26,27,28)
InChIKeyAYLWIGZFKIYVAV-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.68
Rot. Bonds8

About N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine

N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine (PubChem CID 141124589) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
PubChem CID141124589
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
SMILESCCc1c(CNc2nn[nH]n2)cccc1Nc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H23N7O2/c1-4-14-13(12-23-21-25-27-28-26-21)6-5-7-16(14)24-17-8-9-22-18-11-20(30-3)19(29-2)10-15(17)18/h5-11H,4,12H2,1-3H3,(H,22,24)(H2,23,25,26,27,28)
InChIKeyAYLWIGZFKIYVAV-UHFFFAOYSA-N
XLogP3.68
TPSA109.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
CID 141057651
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine
CID 141057646
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine (CID 141124589) is N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine is CCc1c(CNc2nn[nH]n2)cccc1Nc1ccnc2cc(OC)c(OC)cc12.
What is the InChIKey of N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine?
The InChIKey is AYLWIGZFKIYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-4-14-13(12-23-21-25-27-28-26-21)6-5-7-16(14)24-17-8-9-22-18-11-20(30-3)19(29-2)10-15(17)18/h5-11H,4,12H2,1-3H3,(H,22,24)(H2,23,25,26,27,28).
What are the key properties of N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine?
N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine has a molecular weight of 405.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 141124589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).