8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

C14H14ClIN2O — CID 107628895

IUPAC8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCCNc1c2c(nc3c(I)cc(Cl)cc13)CCOC2
InChIInChI=1S/C14H14ClIN2O/c1-2-17-13-9-5-8(15)6-11(16)14(9)18-12-3-4-19-7-10(12)13/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyHCRIEFJLXYGHMW-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.00
Rot. Bonds2

About 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (PubChem CID 107628895) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
PubChem CID107628895
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCCNc1c2c(nc3c(I)cc(Cl)cc13)CCOC2
InChIInChI=1S/C14H14ClIN2O/c1-2-17-13-9-5-8(15)6-11(16)14(9)18-12-3-4-19-7-10(12)13/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyHCRIEFJLXYGHMW-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine with MolForge

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Related Compounds

8-chloro-N-ethyl-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473178
7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628867
N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 79771313
6-ethoxy-N-ethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473029
8-ethoxy-N-ethyl-7-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473350
8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473049
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473027
6-methyl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473206
(6-fluoro-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473743
5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63481227
7-bromo-6-methyl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107628659

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (CID 107628895) is 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is CCNc1c2c(nc3c(I)cc(Cl)cc13)CCOC2.
What is the InChIKey of 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The InChIKey is HCRIEFJLXYGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-2-17-13-9-5-8(15)6-11(16)14(9)18-12-3-4-19-7-10(12)13/h5-6H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine has a molecular weight of 388.64 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 107628895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).