2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

C39H40N14O — CID 160902821

About 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 160902821) has the molecular formula C39H40N14O and a molecular weight of 720.85 g/mol. Its IUPAC name is 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 160902821
• Molecular Formula: C39H40N14O
• Molecular Weight: 720.85 g/mol
• Exact Mass: 720.35
• IUPAC Name: 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
• SMILES: C=C1CCCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.C=C1COCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
• InChI: InChI=1S/C20H21N7.C19H19N7O/c1-12-4-2-3-9-27(12)11-17-24-18-14-6-5-13(15-7-8-22-26-15)10-16(14)23-20(21)19(18)25-17;1-11-10-27-7-6-26(11)9-16-23-17-13-3-2-12(14-4-5-21-25-14)8-15(13)22-19(20)18(17)24-16/h5-8,10H,1-4,9,11H2,(H2,21,23)(H,22,26)(H,24,25);2-5,8H,1,6-7,9-10H2,(H2,20,22)(H,21,25)(H,23,24)
• InChIKey: SPSVHELWVOIFFN-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 208.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	720.85
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 160902821) is 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is C=C1CCCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.C=C1COCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.

What is the InChIKey of 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The InChIKey is SPSVHELWVOIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7.C19H19N7O/c1-12-4-2-3-9-27(12)11-17-24-18-14-6-5-13(15-7-8-22-26-15)10-16(14)23-20(21)19(18)25-17;1-11-10-27-7-6-26(11)9-16-23-17-13-3-2-12(14-4-5-21-25-14)8-15(13)22-19(20)18(17)24-16/h5-8,10H,1-4,9,11H2,(H2,21,23)(H,22,26)(H,24,25);2-5,8H,1,6-7,9-10H2,(H2,20,22)(H,21,25)(H,23,24).

What are the key properties of 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 720.85 g/mol, XLogP of 6.01, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 160902821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).