1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea

C19H26ClN5O — CID 125164986

IUPAC1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
SMILESC[C@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)N1CCN(C)CC1
InChIInChI=1S/C19H26ClN5O/c1-14(25-12-10-24(2)11-13-25)7-9-22-19(26)23-17-6-5-16(20)18-15(17)4-3-8-21-18/h3-6,8,14H,7,9-13H2,1-2H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyHSWADGDAEZJFPY-CQSZACIVSA-N
MW375.90 g/mol
LogP3.04
Rot. Bonds5

About 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea

1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea (PubChem CID 125164986) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
PubChem CID125164986
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
SMILESC[C@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)N1CCN(C)CC1
InChIInChI=1S/C19H26ClN5O/c1-14(25-12-10-24(2)11-13-25)7-9-22-19(26)23-17-6-5-16(20)18-15(17)4-3-8-21-18/h3-6,8,14H,7,9-13H2,1-2H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyHSWADGDAEZJFPY-CQSZACIVSA-N
XLogP3.04
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea with MolForge

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Related Compounds

2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
1-[3-(4-methylpiperazin-1-yl)butyl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 119066280
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
CID 81071022
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea?
The IUPAC name of 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea (CID 125164986) is 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea.
What is the SMILES notation for 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea?
The canonical SMILES for 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea is C[C@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)N1CCN(C)CC1.
What is the InChIKey of 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea?
The InChIKey is HSWADGDAEZJFPY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-14(25-12-10-24(2)11-13-25)7-9-22-19(26)23-17-6-5-16(20)18-15(17)4-3-8-21-18/h3-6,8,14H,7,9-13H2,1-2H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea?
1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea has a molecular weight of 375.90 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea is sourced from PubChem (CID 125164986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).