6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine

C20H18ClFN6 — CID 86683065

IUPAC6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESCCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C20H18ClFN6/c1-3-28(4-2)20-18(19-24-26-27-25-19)17(12-8-6-5-7-9-12)13-10-14(21)15(22)11-16(13)23-20/h5-11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyCVFVCWWTTQCZRK-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.72
Rot. Bonds5

About 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine

6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine (PubChem CID 86683065) has the molecular formula C20H18ClFN6 and a molecular weight of 396.86 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine
PubChem CID86683065
Molecular FormulaC20H18ClFN6
Molecular Weight396.86 g/mol
Exact Mass396.13
IUPAC Name6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESCCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C20H18ClFN6/c1-3-28(4-2)20-18(19-24-26-27-25-19)17(12-8-6-5-7-9-12)13-10-14(21)15(22)11-16(13)23-20/h5-11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyCVFVCWWTTQCZRK-UHFFFAOYSA-N
XLogP4.72
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine?
The IUPAC name of 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine (CID 86683065) is 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine is CCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine?
The InChIKey is CVFVCWWTTQCZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6/c1-3-28(4-2)20-18(19-24-26-27-25-19)17(12-8-6-5-7-9-12)13-10-14(21)15(22)11-16(13)23-20/h5-11H,3-4H2,1-2H3,(H,24,25,26,27).
What are the key properties of 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine?
6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine has a molecular weight of 396.86 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 86683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).