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

C19H22ClN5O3S — CID 45262293

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC.Cl
InChIInChI=1S/C19H21N5O3S.ClH/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);1H
InChIKeyQYQRTTJVNPEDTI-UHFFFAOYSA-N
MW435.94 g/mol
LogP3.48
Rot. Bonds4

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

4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride (PubChem CID 45262293) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride
PubChem CID45262293
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC.Cl
InChIInChI=1S/C19H21N5O3S.ClH/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);1H
InChIKeyQYQRTTJVNPEDTI-UHFFFAOYSA-N
XLogP3.48
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 53.48
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;hydrochloride?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride (CID 45262293) is 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride is COc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC.Cl.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is QYQRTTJVNPEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.ClH/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);1H.
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride?
4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 435.94 g/mol, XLogP of 3.48, 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;hydrochloride is sourced from PubChem (CID 45262293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).