4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide

C20H23N3O4 — CID 164997637

IUPAC4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide
SMILESCOc1cc2ncc3ccn(C4CCC(C(=O)NO)CC4)c3c2cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-15-16(10-18(17)27-2)21-11-13-7-8-23(19(13)15)14-5-3-12(4-6-14)20(24)22-25/h7-12,14,25H,3-6H2,1-2H3,(H,22,24)
InChIKeyWYTXGMWXWZJJBW-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.44
Rot. Bonds4

About 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide

4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide (PubChem CID 164997637) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide
PubChem CID164997637
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide
SMILESCOc1cc2ncc3ccn(C4CCC(C(=O)NO)CC4)c3c2cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-15-16(10-18(17)27-2)21-11-13-7-8-23(19(13)15)14-5-3-12(4-6-14)20(24)22-25/h7-12,14,25H,3-6H2,1-2H3,(H,22,24)
InChIKeyWYTXGMWXWZJJBW-UHFFFAOYSA-N
XLogP3.44
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide (CID 164997637) is 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide is COc1cc2ncc3ccn(C4CCC(C(=O)NO)CC4)c3c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is WYTXGMWXWZJJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-9-15-16(10-18(17)27-2)21-11-13-7-8-23(19(13)15)14-5-3-12(4-6-14)20(24)22-25/h7-12,14,25H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide?
4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxypyrrolo[3,2-c]quinolin-1-yl)-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 164997637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).