4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline

C18H25ClN4O3 — CID 118096744

IUPAC4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
SMILESCOCCOc1cc(OCCN2CCN(C)CC2)cc2ncnc(Cl)c12
InChIInChI=1S/C18H25ClN4O3/c1-22-3-5-23(6-4-22)7-8-25-14-11-15-17(18(19)21-13-20-15)16(12-14)26-10-9-24-2/h11-13H,3-10H2,1-2H3
InChIKeyIFBCTGGLTLAGJE-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.93
Rot. Bonds8

About 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline

4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline (PubChem CID 118096744) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline.

Molecular Properties

Compound Name4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
PubChem CID118096744
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
SMILESCOCCOc1cc(OCCN2CCN(C)CC2)cc2ncnc(Cl)c12
InChIInChI=1S/C18H25ClN4O3/c1-22-3-5-23(6-4-22)7-8-25-14-11-15-17(18(19)21-13-20-15)16(12-14)26-10-9-24-2/h11-13H,3-10H2,1-2H3
InChIKeyIFBCTGGLTLAGJE-UHFFFAOYSA-N
XLogP1.93
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-methoxy-5-propoxyquinazoline
CID 58710714
6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
CID 10368714
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
7-(2-methoxyethoxy)-N-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68891341
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline
CID 146181446
N-(5-chloro-2,2-dideuterio-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 138698452
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 173003015
tert-butyl (2R)-2-[(4-chloro-7-ethoxyquinazolin-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 86622302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline?
The IUPAC name of 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline (CID 118096744) is 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline.
What is the SMILES notation for 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline?
The canonical SMILES for 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline is COCCOc1cc(OCCN2CCN(C)CC2)cc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline?
The InChIKey is IFBCTGGLTLAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-22-3-5-23(6-4-22)7-8-25-14-11-15-17(18(19)21-13-20-15)16(12-14)26-10-9-24-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline?
4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline has a molecular weight of 380.88 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline is sourced from PubChem (CID 118096744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).