6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine

C26H27ClN4O — CID 142474993

IUPAC6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1
InChIInChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30)
InChIKeyQDPCSLVQTXXDET-UHFFFAOYSA-N
MW446.98 g/mol
LogP6.41
Rot. Bonds9

About 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine

6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine (PubChem CID 142474993) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
PubChem CID142474993
Molecular FormulaC26H27ClN4O
Molecular Weight446.98 g/mol
Exact Mass446.19
IUPAC Name6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1
InChIInChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30)
InChIKeyQDPCSLVQTXXDET-UHFFFAOYSA-N
XLogP6.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(azepan-2-yl)ethoxy]phenyl]-6-(2-chlorophenyl)quinazolin-2-amine
CID 141273192
2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N,5-bis(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 25103821
[6-(2-bromophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-yl] carbamate
CID 69034386
6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 22125187
2-[2-(diethylamino)ethoxy]-5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzaldehyde
CID 89128915
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
CID 22124644
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
N-[4-[2-(diethylamino)ethoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]pyrimidin-2-amine
CID 25195612
4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11238839
N-[6-(2,6-dichlorophenyl)quinazolin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 58829176
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 10321920
3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine (CID 142474993) is 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The InChIKey is QDPCSLVQTXXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine has a molecular weight of 446.98 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine is sourced from PubChem (CID 142474993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).