1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one

C22H33N5O3 — CID 142514329

IUPAC1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CCN(c2nc(NC)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C22H33N5O3/c1-6-8-15(7-2)21(28)26-9-11-27(12-10-26)22-24-17-14-19(30-5)18(29-4)13-16(17)20(23-3)25-22/h13-15H,6-12H2,1-5H3,(H,23,24,25)
InChIKeyDMTGUSGLTUOEIH-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.16
Rot. Bonds8

About 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one

1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one (PubChem CID 142514329) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one.

Molecular Properties

Compound Name1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one
PubChem CID142514329
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CCN(c2nc(NC)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C22H33N5O3/c1-6-8-15(7-2)21(28)26-9-11-27(12-10-26)22-24-17-14-19(30-5)18(29-4)13-16(17)20(23-3)25-22/h13-15H,6-12H2,1-5H3,(H,23,24,25)
InChIKeyDMTGUSGLTUOEIH-UHFFFAOYSA-N
XLogP3.16
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one with MolForge

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Related Compounds

5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
CID 91810601
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
CID 616327
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44523465
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315450
3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-butyl-3-oxopropanamide
CID 19063102
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257
ethyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-yl]amino]piperidine-1-carboxylate
CID 44561028
1,7-bis[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3,3,5,5-tetramethylheptane-1,7-dione
CID 137398803
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one?
The IUPAC name of 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one (CID 142514329) is 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one.
What is the SMILES notation for 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one?
The canonical SMILES for 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one is CCCC(CC)C(=O)N1CCN(c2nc(NC)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one?
The InChIKey is DMTGUSGLTUOEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-6-8-15(7-2)21(28)26-9-11-27(12-10-26)22-24-17-14-19(30-5)18(29-4)13-16(17)20(23-3)25-22/h13-15H,6-12H2,1-5H3,(H,23,24,25).
What are the key properties of 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one?
1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one has a molecular weight of 415.54 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one is sourced from PubChem (CID 142514329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).