3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine

C23H32N5O- — CID 163917965

IUPAC3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine
SMILESCCC(CCNc1nc2ccc(C)cc2cc1C1=NC(C)N1[O-])NC1CCCC1
InChIInChI=1S/C23H32N5O/c1-4-18(26-19-7-5-6-8-19)11-12-24-22-20(23-25-16(3)28(23)29)14-17-13-15(2)9-10-21(17)27-22/h9-10,13-14,16,18-19,26H,4-8,11-12H2,1-3H3,(H,24,27)/q-1
InChIKeyFEFBKUXCESVLSZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.56
Rot. Bonds8

About 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine

3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine (PubChem CID 163917965) has the molecular formula C23H32N5O- and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine
PubChem CID163917965
Molecular FormulaC23H32N5O-
Molecular Weight394.54 g/mol
Exact Mass394.26
IUPAC Name3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine
SMILESCCC(CCNc1nc2ccc(C)cc2cc1C1=NC(C)N1[O-])NC1CCCC1
InChIInChI=1S/C23H32N5O/c1-4-18(26-19-7-5-6-8-19)11-12-24-22-20(23-25-16(3)28(23)29)14-17-13-15(2)9-10-21(17)27-22/h9-10,13-14,16,18-19,26H,4-8,11-12H2,1-3H3,(H,24,27)/q-1
InChIKeyFEFBKUXCESVLSZ-UHFFFAOYSA-N
XLogP4.56
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine (CID 163917965) is 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine is CCC(CCNc1nc2ccc(C)cc2cc1C1=NC(C)N1[O-])NC1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine?
The InChIKey is FEFBKUXCESVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N5O/c1-4-18(26-19-7-5-6-8-19)11-12-24-22-20(23-25-16(3)28(23)29)14-17-13-15(2)9-10-21(17)27-22/h9-10,13-14,16,18-19,26H,4-8,11-12H2,1-3H3,(H,24,27)/q-1.
What are the key properties of 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine?
3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine has a molecular weight of 394.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine is sourced from PubChem (CID 163917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).