1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide

C25H30N4O4 — CID 58770571

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc2ncnc(N3CCC(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C25H30N4O4/c1-16(2)33-19-7-5-18(6-8-19)28-25(30)17-9-11-29(12-10-17)24-20-13-22(31-3)23(32-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3,(H,28,30)
InChIKeyZWBJIZQBNVBGAO-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.29
Rot. Bonds7

About 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 58770571) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID58770571
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc2ncnc(N3CCC(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C25H30N4O4/c1-16(2)33-19-7-5-18(6-8-19)28-25(30)17-9-11-29(12-10-17)24-20-13-22(31-3)23(32-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3,(H,28,30)
InChIKeyZWBJIZQBNVBGAO-UHFFFAOYSA-N
XLogP4.29
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10184004
N-[(E)-but-2-en-2-yl]-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxamide;2-prop-2-enoxypropane
CID 143371156
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 58770598
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770603
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea;ethane
CID 143371154
4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10210632
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
4-[7-[6-(diethylamino)-2,4-dihydroxy-6-oxohexoxy]-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 11534700
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 71584894

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 58770571) is 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide is COc1cc2ncnc(N3CCC(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZWBJIZQBNVBGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-16(2)33-19-7-5-18(6-8-19)28-25(30)17-9-11-29(12-10-17)24-20-13-22(31-3)23(32-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3,(H,28,30).
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 58770571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).