4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C17H20ClFN2 — CID 63479762

IUPAC4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCNc1c2c(nc3c(Cl)cc(F)cc13)CCCCC2
InChIInChI=1S/C17H20ClFN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(19)10-14(17)18/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyZVRXSZHGPYYEHF-UHFFFAOYSA-N
MW306.81 g/mol
LogP5.12
Rot. Bonds3

About 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63479762) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63479762
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCNc1c2c(nc3c(Cl)cc(F)cc13)CCCCC2
InChIInChI=1S/C17H20ClFN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(19)10-14(17)18/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyZVRXSZHGPYYEHF-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.81
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479739
2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 79761506
5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63481227
7-fluoro-5-methoxy-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63482755
4-fluoro-2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480102
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107793865
4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55186753
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222
N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 79771313
5,7-dibromo-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63483296
5,7-difluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55045655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63479762) is 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCCNc1c2c(nc3c(Cl)cc(F)cc13)CCCCC2.
What is the InChIKey of 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is ZVRXSZHGPYYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(19)10-14(17)18/h9-10H,2-8H2,1H3,(H,20,21).
What are the key properties of 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 306.81 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63479762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).