1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone

C18H23ClN4O3 — CID 58960248

IUPAC1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
SMILESCOc1cc2ncnc(Cl)c2cc1OCCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H23ClN4O3/c1-13(24)23-7-5-22(6-8-23)4-3-9-26-17-10-14-15(11-16(17)25-2)20-12-21-18(14)19/h10-12H,3-9H2,1-2H3
InChIKeyBVUHAZSWXSJPEG-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.22
Rot. Bonds6

About 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone

1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone (PubChem CID 58960248) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
PubChem CID58960248
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
SMILESCOc1cc2ncnc(Cl)c2cc1OCCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H23ClN4O3/c1-13(24)23-7-5-22(6-8-23)4-3-9-26-17-10-14-15(11-16(17)25-2)20-12-21-18(14)19/h10-12H,3-9H2,1-2H3
InChIKeyBVUHAZSWXSJPEG-UHFFFAOYSA-N
XLogP2.22
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
1-[4-[3-[4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]ethanone
CID 142269963
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
1-[4-[3-[4-[(1-fluoro-7-methyl-5,6-dihydronaphthalen-2-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanone
CID 142269989
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159
1-[7-[3-[4-(5-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
CID 90284562
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone (CID 58960248) is 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone is COc1cc2ncnc(Cl)c2cc1OCCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone?
The InChIKey is BVUHAZSWXSJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-13(24)23-7-5-22(6-8-23)4-3-9-26-17-10-14-15(11-16(17)25-2)20-12-21-18(14)19/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone has a molecular weight of 378.86 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58960248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).