1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine

C22H25N5 — CID 173204364

IUPAC1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCn1c(CCC)nc2c(N)nc3cc(-c4cccnc4)ccc3c21
InChIInChI=1S/C22H25N5/c1-3-5-12-27-19(7-4-2)26-20-21(27)17-10-9-15(13-18(17)25-22(20)23)16-8-6-11-24-14-16/h6,8-11,13-14H,3-5,7,12H2,1-2H3,(H2,23,25)
InChIKeyKVUPTPBVNYIXFY-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.98
Rot. Bonds6

About 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine

1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine (PubChem CID 173204364) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
PubChem CID173204364
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCn1c(CCC)nc2c(N)nc3cc(-c4cccnc4)ccc3c21
InChIInChI=1S/C22H25N5/c1-3-5-12-27-19(7-4-2)26-20-21(27)17-10-9-15(13-18(17)25-22(20)23)16-8-6-11-24-14-16/h6,8-11,13-14H,3-5,7,12H2,1-2H3,(H2,23,25)
InChIKeyKVUPTPBVNYIXFY-UHFFFAOYSA-N
XLogP4.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine (CID 173204364) is 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine is CCCCn1c(CCC)nc2c(N)nc3cc(-c4cccnc4)ccc3c21.
What is the InChIKey of 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is KVUPTPBVNYIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-5-12-27-19(7-4-2)26-20-21(27)17-10-9-15(13-18(17)25-22(20)23)16-8-6-11-24-14-16/h6,8-11,13-14H,3-5,7,12H2,1-2H3,(H2,23,25).
What are the key properties of 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine?
1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 173204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).