7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine

C22H25N5 — CID 69429839

IUPAC7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCCCc1nc2c(N)nc3c(C(C)C)c(-c4ccccc4)ccc3c2n1N
InChIInChI=1S/C22H25N5/c1-4-8-17-25-20-21(27(17)24)16-12-11-15(14-9-6-5-7-10-14)18(13(2)3)19(16)26-22(20)23/h5-7,9-13H,4,8,24H2,1-3H3,(H2,23,26)
InChIKeyBZQGJAZKSAPSOE-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.62
Rot. Bonds4

About 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine

7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine (PubChem CID 69429839) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine.

Molecular Properties

Compound Name7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
PubChem CID69429839
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCCCc1nc2c(N)nc3c(C(C)C)c(-c4ccccc4)ccc3c2n1N
InChIInChI=1S/C22H25N5/c1-4-8-17-25-20-21(27(17)24)16-12-11-15(14-9-6-5-7-10-14)18(13(2)3)19(16)26-22(20)23/h5-7,9-13H,4,8,24H2,1-3H3,(H2,23,26)
InChIKeyBZQGJAZKSAPSOE-UHFFFAOYSA-N
XLogP4.62
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The IUPAC name of 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine (CID 69429839) is 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine.
What is the SMILES notation for 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The canonical SMILES for 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine is CCCc1nc2c(N)nc3c(C(C)C)c(-c4ccccc4)ccc3c2n1N.
What is the InChIKey of 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The InChIKey is BZQGJAZKSAPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-4-8-17-25-20-21(27(17)24)16-12-11-15(14-9-6-5-7-10-14)18(13(2)3)19(16)26-22(20)23/h5-7,9-13H,4,8,24H2,1-3H3,(H2,23,26).
What are the key properties of 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine has a molecular weight of 359.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine is sourced from PubChem (CID 69429839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).