3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol

C16H19N5O2 — CID 137417584

IUPAC3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
SMILESCOc1cc2c(NCCCO)cc(N)nc2cc1-c1ccn[nH]1
InChIInChI=1S/C16H19N5O2/c1-23-15-8-10-13(18-4-2-6-22)9-16(17)20-14(10)7-11(15)12-3-5-19-21-12/h3,5,7-9,22H,2,4,6H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyMVJVNRACZHSXON-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.01
Rot. Bonds6

About 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol

3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol (PubChem CID 137417584) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
PubChem CID137417584
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
SMILESCOc1cc2c(NCCCO)cc(N)nc2cc1-c1ccn[nH]1
InChIInChI=1S/C16H19N5O2/c1-23-15-8-10-13(18-4-2-6-22)9-16(17)20-14(10)7-11(15)12-3-5-19-21-12/h3,5,7-9,22H,2,4,6H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyMVJVNRACZHSXON-UHFFFAOYSA-N
XLogP2.01
TPSA109.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol (CID 137417584) is 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol is COc1cc2c(NCCCO)cc(N)nc2cc1-c1ccn[nH]1.
What is the InChIKey of 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The InChIKey is MVJVNRACZHSXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-15-8-10-13(18-4-2-6-22)9-16(17)20-14(10)7-11(15)12-3-5-19-21-12/h3,5,7-9,22H,2,4,6H2,1H3,(H,19,21)(H3,17,18,20).
What are the key properties of 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol has a molecular weight of 313.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 137417584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).