(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid

C16H17ClN4O2 — CID 87308438

IUPAC(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid
SMILESCCCCCN(C(=O)O)c1n[nH]c2c(Cl)nc3ccccc3c12
InChIInChI=1S/C16H17ClN4O2/c1-2-3-6-9-21(16(22)23)15-12-10-7-4-5-8-11(10)18-14(17)13(12)19-20-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20)(H,22,23)
InChIKeyRHPZAQWHEBESKK-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.44
Rot. Bonds5

About (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid

(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid (PubChem CID 87308438) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid
PubChem CID87308438
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid
SMILESCCCCCN(C(=O)O)c1n[nH]c2c(Cl)nc3ccccc3c12
InChIInChI=1S/C16H17ClN4O2/c1-2-3-6-9-21(16(22)23)15-12-10-7-4-5-8-11(10)18-14(17)13(12)19-20-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20)(H,22,23)
InChIKeyRHPZAQWHEBESKK-UHFFFAOYSA-N
XLogP4.44
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid?
The IUPAC name of (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid (CID 87308438) is (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid.
What is the SMILES notation for (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid?
The canonical SMILES for (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid is CCCCCN(C(=O)O)c1n[nH]c2c(Cl)nc3ccccc3c12.
What is the InChIKey of (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid?
The InChIKey is RHPZAQWHEBESKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-2-3-6-9-21(16(22)23)15-12-10-7-4-5-8-11(10)18-14(17)13(12)19-20-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20)(H,22,23).
What are the key properties of (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid?
(4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid has a molecular weight of 332.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3H-pyrazolo[5,4-c]quinolin-1-yl)-pentylcarbamic acid is sourced from PubChem (CID 87308438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).