N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide

C16H21N5O3 — CID 616327

IUPACN-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
SMILESCOc1cc2nc(N3CCNCC3)nc(NC(C)=O)c2cc1OC
InChIInChI=1S/C16H21N5O3/c1-10(22)18-15-11-8-13(23-2)14(24-3)9-12(11)19-16(20-15)21-6-4-17-5-7-21/h8-9,17H,4-7H2,1-3H3,(H,18,19,20,22)
InChIKeySAMAEKWIEGUVDP-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.01
Rot. Bonds4

About N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide

N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide (PubChem CID 616327) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
PubChem CID616327
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
SMILESCOc1cc2nc(N3CCNCC3)nc(NC(C)=O)c2cc1OC
InChIInChI=1S/C16H21N5O3/c1-10(22)18-15-11-8-13(23-2)14(24-3)9-12(11)19-16(20-15)21-6-4-17-5-7-21/h8-9,17H,4-7H2,1-3H3,(H,18,19,20,22)
InChIKeySAMAEKWIEGUVDP-UHFFFAOYSA-N
XLogP1.01
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
CID 144858973
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
1-[4-[6,7-dimethoxy-4-(methylamino)quinazolin-2-yl]piperazin-1-yl]-2-ethylpentan-1-one
CID 142514329
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164628599
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-piperazin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146367
N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide
CID 145433704
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315450
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide?
The IUPAC name of N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide (CID 616327) is N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide.
What is the SMILES notation for N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide?
The canonical SMILES for N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide is COc1cc2nc(N3CCNCC3)nc(NC(C)=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide?
The InChIKey is SAMAEKWIEGUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(22)18-15-11-8-13(23-2)14(24-3)9-12(11)19-16(20-15)21-6-4-17-5-7-21/h8-9,17H,4-7H2,1-3H3,(H,18,19,20,22).
What are the key properties of N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide?
N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide is sourced from PubChem (CID 616327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).