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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Related Compounds

Gefitinib
CID 123631
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187
M-475271
CID 5330175
2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
Src Kinase Inhibitor I
CID 1474853
2,4-Quinazolinediamine, 6,7-dimethoxy-N2,N2-dimethyl-
CID 29503
2-Chloro-6,7-dimethoxy-4-(4-morpholinyl)quinazoline
CID 1713526
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 5329009

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).