3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine

C43H52BrCl2N13O2 — CID 167601291

IUPAC3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine
SMILESCCCNC.NCCCO.Nc1cc(Cl)c2ccc(-n3cccn3)cc2n1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCCO)c2ccc(-n3cccn3)cc2n1
InChIInChI=1S/C15H17N5O.C12H9ClN4.C9H6BrClN2.C4H11N.C3H9NO/c16-15-10-13(17-5-2-8-21)12-4-3-11(9-14(12)19-15)20-7-1-6-18-20;13-10-7-12(14)16-11-6-8(2-3-9(10)11)17-5-1-4-15-17;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-3-4-5-2;4-2-1-3-5/h1,3-4,6-7,9-10,21H,2,5,8H2,(H3,16,17,19);1-7H,(H2,14,16);1-4H,(H2,12,13);5H,3-4H2,1-2H3;5H,1-4H2
InChIKeyJTTQHNCMRRDYLW-UHFFFAOYSA-N
MW933.79 g/mol
LogP7.63
Rot. Bonds10

About 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine

3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine (PubChem CID 167601291) has the molecular formula C43H52BrCl2N13O2 and a molecular weight of 933.79 g/mol. Its IUPAC name is 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine.

Molecular Properties

Compound Name3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine
PubChem CID167601291
Molecular FormulaC43H52BrCl2N13O2
Molecular Weight933.79 g/mol
Exact Mass931.29
IUPAC Name3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine
SMILESCCCNC.NCCCO.Nc1cc(Cl)c2ccc(-n3cccn3)cc2n1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCCO)c2ccc(-n3cccn3)cc2n1
InChIInChI=1S/C15H17N5O.C12H9ClN4.C9H6BrClN2.C4H11N.C3H9NO/c16-15-10-13(17-5-2-8-21)12-4-3-11(9-14(12)19-15)20-7-1-6-18-20;13-10-7-12(14)16-11-6-8(2-3-9(10)11)17-5-1-4-15-17;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-3-4-5-2;4-2-1-3-5/h1,3-4,6-7,9-10,21H,2,5,8H2,(H3,16,17,19);1-7H,(H2,14,16);1-4H,(H2,12,13);5H,3-4H2,1-2H3;5H,1-4H2
InChIKeyJTTQHNCMRRDYLW-UHFFFAOYSA-N
XLogP7.63
TPSA242.91 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500933.79
LogP ≤ 57.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

7-bromo-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;methane;N-methylbutan-1-amine;1H-pyrazole;7-pyrazol-1-yl-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine
CID 158608739
7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;methane;N-methylbutan-1-amine;4-N-[2-(oxan-4-yl)ethyl]-7-pyrazol-1-ylquinoline-2,4-diamine;1H-pyrazole
CID 161315980
7-bromo-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;N-methylbutan-1-amine;1H-pyrazole;7-pyrazol-1-yl-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine
CID 167544600
7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;N-methylbutan-1-amine;4-N-[2-(oxan-4-yl)ethyl]-7-pyrazol-1-ylquinoline-2,4-diamine;1H-pyrazole
CID 167688421

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine?
The IUPAC name of 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine (CID 167601291) is 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine.
What is the SMILES notation for 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine?
The canonical SMILES for 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine is CCCNC.NCCCO.Nc1cc(Cl)c2ccc(-n3cccn3)cc2n1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCCO)c2ccc(-n3cccn3)cc2n1.
What is the InChIKey of 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine?
The InChIKey is JTTQHNCMRRDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.C12H9ClN4.C9H6BrClN2.C4H11N.C3H9NO/c16-15-10-13(17-5-2-8-21)12-4-3-11(9-14(12)19-15)20-7-1-6-18-20;13-10-7-12(14)16-11-6-8(2-3-9(10)11)17-5-1-4-15-17;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-3-4-5-2;4-2-1-3-5/h1,3-4,6-7,9-10,21H,2,5,8H2,(H3,16,17,19);1-7H,(H2,14,16);1-4H,(H2,12,13);5H,3-4H2,1-2H3;5H,1-4H2.
What are the key properties of 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine?
3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine has a molecular weight of 933.79 g/mol, XLogP of 7.63, 10 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;3-[(2-amino-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol;7-bromo-4-chloroquinolin-2-amine;4-chloro-7-pyrazol-1-ylquinolin-2-amine;N-methylpropan-1-amine is sourced from PubChem (CID 167601291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).