4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C22H29N5 — CID 154649504

About 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 154649504) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
• PubChem CID: 154649504
• Molecular Formula: C22H29N5
• Molecular Weight: 363.51 g/mol
• Exact Mass: 363.24
• IUPAC Name: 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
• SMILES: CC1CCC(C(C)C(C)Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)C1
• InChI: InChI=1S/C22H29N5/c1-13-4-5-16(10-13)14(2)15(3)25-21-12-22(23)26-20-11-17(6-7-18(20)21)19-8-9-24-27-19/h6-9,11-16H,4-5,10H2,1-3H3,(H,24,27)(H3,23,25,26)
• InChIKey: UMTIAJQCSQCSHG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 79.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.51
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?

The IUPAC name of 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 154649504) is 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

What is the SMILES notation for 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?

The canonical SMILES for 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is CC1CCC(C(C)C(C)Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)C1.

What is the InChIKey of 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?

The InChIKey is UMTIAJQCSQCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-13-4-5-16(10-13)14(2)15(3)25-21-12-22(23)26-20-11-17(6-7-18(20)21)19-8-9-24-27-19/h6-9,11-16H,4-5,10H2,1-3H3,(H,24,27)(H3,23,25,26).

What are the key properties of 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?

4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 363.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 154649504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).