4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline

C16H21ClN2O2 — CID 10859828

IUPAC4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
SMILESCCOc1cc2nc(CC(C)C)nc(Cl)c2cc1OCC
InChIInChI=1S/C16H21ClN2O2/c1-5-20-13-8-11-12(9-14(13)21-6-2)18-15(7-10(3)4)19-16(11)17/h8-10H,5-7H2,1-4H3
InChIKeyCDEANFGRNDOORJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline

4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline (PubChem CID 10859828) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
PubChem CID10859828
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
SMILESCCOc1cc2nc(CC(C)C)nc(Cl)c2cc1OCC
InChIInChI=1S/C16H21ClN2O2/c1-5-20-13-8-11-12(9-14(13)21-6-2)18-15(7-10(3)4)19-16(11)17/h8-10H,5-7H2,1-4H3
InChIKeyCDEANFGRNDOORJ-UHFFFAOYSA-N
XLogP4.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline?
The IUPAC name of 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline (CID 10859828) is 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline.
What is the SMILES notation for 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline?
The canonical SMILES for 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline is CCOc1cc2nc(CC(C)C)nc(Cl)c2cc1OCC.
What is the InChIKey of 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline?
The InChIKey is CDEANFGRNDOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-5-20-13-8-11-12(9-14(13)21-6-2)18-15(7-10(3)4)19-16(11)17/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline?
4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline has a molecular weight of 308.81 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline is sourced from PubChem (CID 10859828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).