4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

C20H23N5O4 — CID 22707418

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)NCc4ccco4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O4/c1-27-17-10-15-16(11-18(17)28-2)22-13-23-19(15)24-5-7-25(8-6-24)20(26)21-12-14-4-3-9-29-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,26)
InChIKeyGUXXNRLHCNKEDU-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.27
Rot. Bonds5

About 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 22707418) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID22707418
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)NCc4ccco4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O4/c1-27-17-10-15-16(11-18(17)28-2)22-13-23-19(15)24-5-7-25(8-6-24)20(26)21-12-14-4-3-9-29-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,26)
InChIKeyGUXXNRLHCNKEDU-UHFFFAOYSA-N
XLogP2.27
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacylpiperazine-1-carbothioamide
CID 22707566

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 22707418) is 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)NCc4ccco4)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GUXXNRLHCNKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-27-17-10-15-16(11-18(17)28-2)22-13-23-19(15)24-5-7-25(8-6-24)20(26)21-12-14-4-3-9-29-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,26).
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.27, 5 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-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 22707418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).