4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline

C17H22ClFN4O2 — CID 91578085

IUPAC4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCN1CCN(C(C)F)CC1
InChIInChI=1S/C17H22ClFN4O2/c1-12(19)23-5-3-22(4-6-23)7-8-25-16-10-14-13(9-15(16)24-2)17(18)21-11-20-14/h9-12H,3-8H2,1-2H3
InChIKeyLPLYTBQWQKZTTF-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.60
Rot. Bonds6

About 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline

4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline (PubChem CID 91578085) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
PubChem CID91578085
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC Name4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCN1CCN(C(C)F)CC1
InChIInChI=1S/C17H22ClFN4O2/c1-12(19)23-5-3-22(4-6-23)7-8-25-16-10-14-13(9-15(16)24-2)17(18)21-11-20-14/h9-12H,3-8H2,1-2H3
InChIKeyLPLYTBQWQKZTTF-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
CID 175087895
4-chloro-6-methoxy-7-(1-piperidin-1-ylethoxy)quinazoline
CID 91363956
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 167060447
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline?
The IUPAC name of 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline (CID 91578085) is 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline.
What is the SMILES notation for 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline?
The canonical SMILES for 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline is COc1cc2c(Cl)ncnc2cc1OCCN1CCN(C(C)F)CC1.
What is the InChIKey of 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline?
The InChIKey is LPLYTBQWQKZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O2/c1-12(19)23-5-3-22(4-6-23)7-8-25-16-10-14-13(9-15(16)24-2)17(18)21-11-20-14/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline?
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline has a molecular weight of 368.84 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline is sourced from PubChem (CID 91578085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).