N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine

C22H20Cl2N6O3 — CID 76614830

IUPACN-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(C2CCCN2)no1
InChIInChI=1S/C22H20Cl2N6O3/c1-31-18-8-13-17(26-11-27-21(13)28-12-4-5-14(23)15(24)7-12)9-19(18)32-10-20-29-22(30-33-20)16-3-2-6-25-16/h4-5,7-9,11,16,25H,2-3,6,10H2,1H3,(H,26,27,28)
InChIKeyHFDJFCJNMFTWOT-UHFFFAOYSA-N
MW487.35 g/mol
LogP5.08
Rot. Bonds7

About N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine

N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine (PubChem CID 76614830) has the molecular formula C22H20Cl2N6O3 and a molecular weight of 487.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
PubChem CID76614830
Molecular FormulaC22H20Cl2N6O3
Molecular Weight487.35 g/mol
Exact Mass486.10
IUPAC NameN-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(C2CCCN2)no1
InChIInChI=1S/C22H20Cl2N6O3/c1-31-18-8-13-17(26-11-27-21(13)28-12-4-5-14(23)15(24)7-12)9-19(18)32-10-20-29-22(30-33-20)16-3-2-6-25-16/h4-5,7-9,11,16,25H,2-3,6,10H2,1H3,(H,26,27,28)
InChIKeyHFDJFCJNMFTWOT-UHFFFAOYSA-N
XLogP5.08
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.35
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70989067
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70946752
N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838733
N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
CID 70946712
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide
CID 142852286
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine
CID 68522303
7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838511

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine (CID 76614830) is N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(C2CCCN2)no1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine?
The InChIKey is HFDJFCJNMFTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O3/c1-31-18-8-13-17(26-11-27-21(13)28-12-4-5-14(23)15(24)7-12)9-19(18)32-10-20-29-22(30-33-20)16-3-2-6-25-16/h4-5,7-9,11,16,25H,2-3,6,10H2,1H3,(H,26,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine?
N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine has a molecular weight of 487.35 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 76614830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).