7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide

C17H24N6O — CID 71061321

IUPAC7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20)
InChIKeyJSGNHFVUNFUTOO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.30
Rot. Bonds4

About 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide

7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71061321) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71061321
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20)
InChIKeyJSGNHFVUNFUTOO-UHFFFAOYSA-N
XLogP1.30
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71061321) is 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2cc(N3CCN(C)CC3)ccc12.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is JSGNHFVUNFUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20).
What are the key properties of 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71061321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).