(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine

C23H28FN5O — CID 145275568

IUPAC(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine
SMILESCC1(C)CC(n2c(CN/C=C(\N)C3CC3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C23H28FN5O/c1-23(2)10-16(7-8-30-23)29-21(13-26-11-18(25)14-3-4-14)28-20-12-27-19-6-5-15(24)9-17(19)22(20)29/h5-6,9,11-12,14,16,26H,3-4,7-8,10,13,25H2,1-2H3/b18-11-
InChIKeyMXWQMTNPDIXEEA-WQRHYEAKSA-N
MW409.51 g/mol
LogP4.15
Rot. Bonds5

About (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine

(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine (PubChem CID 145275568) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine
PubChem CID145275568
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine
SMILESCC1(C)CC(n2c(CN/C=C(\N)C3CC3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C23H28FN5O/c1-23(2)10-16(7-8-30-23)29-21(13-26-11-18(25)14-3-4-14)28-20-12-27-19-6-5-15(24)9-17(19)22(20)29/h5-6,9,11-12,14,16,26H,3-4,7-8,10,13,25H2,1-2H3/b18-11-
InChIKeyMXWQMTNPDIXEEA-WQRHYEAKSA-N
XLogP4.15
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine (CID 145275568) is (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine is CC1(C)CC(n2c(CN/C=C(\N)C3CC3)nc3cnc4ccc(F)cc4c32)CCO1.
What is the InChIKey of (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine?
The InChIKey is MXWQMTNPDIXEEA-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-23(2)10-16(7-8-30-23)29-21(13-26-11-18(25)14-3-4-14)28-20-12-27-19-6-5-15(24)9-17(19)22(20)29/h5-6,9,11-12,14,16,26H,3-4,7-8,10,13,25H2,1-2H3/b18-11-.
What are the key properties of (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine?
(Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine has a molecular weight of 409.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-N'-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]ethene-1,2-diamine is sourced from PubChem (CID 145275568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).