N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine

C20H17ClN4O3 — CID 71761600

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3cc(-c4ccc(Cl)cc4)no3)c2cc1OC
InChIInChI=1S/C20H17ClN4O3/c1-26-18-8-15-17(9-19(18)27-2)23-11-24-20(15)22-10-14-7-16(25-28-14)12-3-5-13(21)6-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyIGJKADKGQPOIJD-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.57
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 71761600) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID71761600
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3cc(-c4ccc(Cl)cc4)no3)c2cc1OC
InChIInChI=1S/C20H17ClN4O3/c1-26-18-8-15-17(9-19(18)27-2)23-11-24-20(15)22-10-14-7-16(25-28-14)12-3-5-13(21)6-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyIGJKADKGQPOIJD-UHFFFAOYSA-N
XLogP4.57
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
CID 155026757
1-(3-chloro-4-fluorophenyl)-3-[3-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]urea
CID 162663780
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
N-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 90088078
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
CID 141435855
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine (CID 71761600) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(NCc3cc(-c4ccc(Cl)cc4)no3)c2cc1OC.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is IGJKADKGQPOIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-26-18-8-15-17(9-19(18)27-2)23-11-24-20(15)22-10-14-7-16(25-28-14)12-3-5-13(21)6-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 396.83 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 71761600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).