1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea

C24H24N6O — CID 54145553

IUPAC1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea
SMILESCN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5ncccc5c4)cc23)CC1
InChIInChI=1S/C24H24N6O/c1-29-11-13-30(14-12-29)23-8-10-26-22-7-5-19(16-20(22)23)28-24(31)27-18-4-6-21-17(15-18)3-2-9-25-21/h2-10,15-16H,11-14H2,1H3,(H2,27,28,31)
InChIKeyOEDAEFZPMWULQS-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea

1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea (PubChem CID 54145553) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea
PubChem CID54145553
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea
SMILESCN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5ncccc5c4)cc23)CC1
InChIInChI=1S/C24H24N6O/c1-29-11-13-30(14-12-29)23-8-10-26-22-7-5-19(16-20(22)23)28-24(31)27-18-4-6-21-17(15-18)3-2-9-25-21/h2-10,15-16H,11-14H2,1H3,(H2,27,28,31)
InChIKeyOEDAEFZPMWULQS-UHFFFAOYSA-N
XLogP4.18
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk163090
CID 11292933
Aminoquinuride
CID 71166
JP1302
CID 540335
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
N-3-Pyridinyl-9-acridinamine
CID 53313
SB-408124
CID 4331799
Ucl1848
CID 9811445
Tacrine(8)-4-aminoquinoline
CID 656986
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
9-Acridinamine, N-(4-(4-ethyl-1-piperazinyl)phenyl)-
CID 3072540
Aminoquinuride hydrochloride
CID 79472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea (CID 54145553) is 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea is CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5ncccc5c4)cc23)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea?
The InChIKey is OEDAEFZPMWULQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-29-11-13-30(14-12-29)23-8-10-26-22-7-5-19(16-20(22)23)28-24(31)27-18-4-6-21-17(15-18)3-2-9-25-21/h2-10,15-16H,11-14H2,1H3,(H2,27,28,31).
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea?
1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea has a molecular weight of 412.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea is sourced from PubChem (CID 54145553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).