4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide

C19H27N5O3 — CID 14069007

IUPAC4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h10-12H,4-9H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyXLOWJYASSHXECB-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.08
Rot. Bonds5

About 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide

4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide (PubChem CID 14069007) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide
PubChem CID14069007
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h10-12H,4-9H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyXLOWJYASSHXECB-UHFFFAOYSA-N
XLogP2.08
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide (CID 14069007) is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide?
The InChIKey is XLOWJYASSHXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h10-12H,4-9H2,1-3H3,(H2,20,22)(H,21,25).
What are the key properties of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide?
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 14069007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).