2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile

C18H17ClN4O — CID 142423887

IUPAC2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
SMILESCc1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
InChIInChI=1S/C18H17ClN4O/c1-11-22-17-10-21-16-3-2-12(19)8-15(16)18(17)23(11)13-5-7-24-14(9-13)4-6-20/h2-3,8,10,13-14H,4-5,7,9H2,1H3
InChIKeyPQZGQUILUHPZHY-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.18
Rot. Bonds2

About 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile

2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile (PubChem CID 142423887) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
PubChem CID142423887
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
SMILESCc1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
InChIInChI=1S/C18H17ClN4O/c1-11-22-17-10-21-16-3-2-12(19)8-15(16)18(17)23(11)13-5-7-24-14(9-13)4-6-20/h2-3,8,10,13-14H,4-5,7,9H2,1H3
InChIKeyPQZGQUILUHPZHY-UHFFFAOYSA-N
XLogP4.18
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile?
The IUPAC name of 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile (CID 142423887) is 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile is Cc1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1.
What is the InChIKey of 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile?
The InChIKey is PQZGQUILUHPZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-22-17-10-21-16-3-2-12(19)8-15(16)18(17)23(11)13-5-7-24-14(9-13)4-6-20/h2-3,8,10,13-14H,4-5,7,9H2,1H3.
What are the key properties of 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile?
2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile has a molecular weight of 340.81 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile is sourced from PubChem (CID 142423887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).