2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

C25H30N4O3 — CID 58770598

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc2ncnc(N3CCC(CC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC
InChIInChI=1S/C25H30N4O3/c1-16(2)18-5-7-19(8-6-18)28-24(30)11-17-9-10-29(14-17)25-20-12-22(31-3)23(32-4)13-21(20)26-15-27-25/h5-8,12-13,15-17H,9-11,14H2,1-4H3,(H,28,30)
InChIKeyDRGVMHAIOMCPGK-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.63
Rot. Bonds7

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 58770598) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID58770598
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc2ncnc(N3CCC(CC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC
InChIInChI=1S/C25H30N4O3/c1-16(2)18-5-7-19(8-6-18)28-24(30)11-17-9-10-29(14-17)25-20-12-22(31-3)23(32-4)13-21(20)26-15-27-25/h5-8,12-13,15-17H,9-11,14H2,1-4H3,(H,28,30)
InChIKeyDRGVMHAIOMCPGK-UHFFFAOYSA-N
XLogP4.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770603
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea;ethane
CID 143371154
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
CID 163274731
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 58770598) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is COc1cc2ncnc(N3CCC(CC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is DRGVMHAIOMCPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16(2)18-5-7-19(8-6-18)28-24(30)11-17-9-10-29(14-17)25-20-12-22(31-3)23(32-4)13-21(20)26-15-27-25/h5-8,12-13,15-17H,9-11,14H2,1-4H3,(H,28,30).
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 58770598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).