N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine

C25H31Cl2N5O2 — CID 70795309

IUPACN-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
SMILESCCCN1CCN(CC)CC1COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC
InChIInChI=1S/C25H31Cl2N5O2/c1-4-8-32-10-9-31(5-2)14-18(32)15-34-24-13-22-19(12-23(24)33-3)25(29-16-28-22)30-17-6-7-20(26)21(27)11-17/h6-7,11-13,16,18H,4-5,8-10,14-15H2,1-3H3,(H,28,29,30)
InChIKeyMRQVEJXYSLRLSR-UHFFFAOYSA-N
MW504.46 g/mol
LogP5.48
Rot. Bonds9

About N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine

N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine (PubChem CID 70795309) has the molecular formula C25H31Cl2N5O2 and a molecular weight of 504.46 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
PubChem CID70795309
Molecular FormulaC25H31Cl2N5O2
Molecular Weight504.46 g/mol
Exact Mass503.19
IUPAC NameN-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
SMILESCCCN1CCN(CC)CC1COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC
InChIInChI=1S/C25H31Cl2N5O2/c1-4-8-32-10-9-31(5-2)14-18(32)15-34-24-13-22-19(12-23(24)33-3)25(29-16-28-22)30-17-6-7-20(26)21(27)11-17/h6-7,11-13,16,18H,4-5,8-10,14-15H2,1-3H3,(H,28,29,30)
InChIKeyMRQVEJXYSLRLSR-UHFFFAOYSA-N
XLogP5.48
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

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
N-(3-chloro-4-fluorophenyl)-6-[3-(6-ethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl)propoxy]-7-methoxyquinazolin-4-amine
CID 71571663
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402
4-(3,4-dichloroanilino)-7-[(4-ethylmorpholin-2-yl)methoxy]quinazolin-6-ol
CID 66838580
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-4-fluorophenyl)-6-[3-[(2R)-2-ethylpiperidin-1-yl]propoxy]-7-methoxyquinazolin-4-amine
CID 72544473
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
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
7-[[4-[diazo(ethylamino)methyl]morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 163576178
[(2S)-1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]pyrrolidin-2-yl]methanol
CID 25252963
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine (CID 70795309) is N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine is CCCN1CCN(CC)CC1COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine?
The InChIKey is MRQVEJXYSLRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N5O2/c1-4-8-32-10-9-31(5-2)14-18(32)15-34-24-13-22-19(12-23(24)33-3)25(29-16-28-22)30-17-6-7-20(26)21(27)11-17/h6-7,11-13,16,18H,4-5,8-10,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine?
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine has a molecular weight of 504.46 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 70795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).