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

C22H25N5O3 — CID 14069011

IUPAC4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28)
InChIKeyZXUNSNIDDUGAHL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.19
Rot. Bonds4

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

4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 14069011) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID14069011
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28)
InChIKeyZXUNSNIDDUGAHL-UHFFFAOYSA-N
XLogP3.19
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.19
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-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide (CID 14069011) is 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide is COc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)cc(N)c2cc1OC.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZXUNSNIDDUGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28).
What are the key properties of 4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.19, 4 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-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 14069011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).