4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide

C19H21N5O3S — CID 10386217

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC
InChIInChI=1S/C19H21N5O3S/c1-26-16-9-14-15(10-17(16)27-2)20-12-21-18(14)23-4-6-24(7-5-23)19(25)22-13-3-8-28-11-13/h3,8-12H,4-7H2,1-2H3,(H,22,25)
InChIKeySACBQFMSEKIABM-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.06
Rot. Bonds4

About 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide

4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide (PubChem CID 10386217) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
PubChem CID10386217
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC
InChIInChI=1S/C19H21N5O3S/c1-26-16-9-14-15(10-17(16)27-2)20-12-21-18(14)23-4-6-24(7-5-23)19(25)22-13-3-8-28-11-13/h3,8-12H,4-7H2,1-2H3,(H,22,25)
InChIKeySACBQFMSEKIABM-UHFFFAOYSA-N
XLogP3.06
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide (CID 10386217) is 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The InChIKey is SACBQFMSEKIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-26-16-9-14-15(10-17(16)27-2)20-12-21-18(14)23-4-6-24(7-5-23)19(25)22-13-3-8-28-11-13/h3,8-12H,4-7H2,1-2H3,(H,22,25).
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide?
4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 10386217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).