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

C19H25N5O3 — CID 14069009

IUPAC4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H25N5O3/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/h4,10-12H,1,5-9H2,2-3H3,(H2,20,22)(H,21,25)
InChIKeyVGZMVZACTDGXOS-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.85
Rot. Bonds5

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

4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 14069009) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID14069009
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H25N5O3/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/h4,10-12H,1,5-9H2,2-3H3,(H2,20,22)(H,21,25)
InChIKeyVGZMVZACTDGXOS-UHFFFAOYSA-N
XLogP1.85
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide (CID 14069009) is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is VGZMVZACTDGXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/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/h4,10-12H,1,5-9H2,2-3H3,(H2,20,22)(H,21,25).
What are the key properties of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.85, 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-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 14069009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).