N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine

C26H26Cl2N4O4 — CID 91020683

IUPACN-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3cc4cc(OCCC5CNCCO5)c(OC)cc4cc23)c(Cl)cc1Cl
InChIInChI=1S/C26H26Cl2N4O4/c1-33-23-12-22(19(27)11-20(23)28)32-26-18-7-15-9-24(34-2)25(10-16(15)8-21(18)30-14-31-26)36-5-3-17-13-29-4-6-35-17/h7-12,14,17,29H,3-6,13H2,1-2H3,(H,30,31,32)
InChIKeyGUDINVFNBWYAKL-UHFFFAOYSA-N
MW529.42 g/mol
LogP5.61
Rot. Bonds8

About N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine

N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine (PubChem CID 91020683) has the molecular formula C26H26Cl2N4O4 and a molecular weight of 529.42 g/mol. Its IUPAC name is N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine
PubChem CID91020683
Molecular FormulaC26H26Cl2N4O4
Molecular Weight529.42 g/mol
Exact Mass528.13
IUPAC NameN-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3cc4cc(OCCC5CNCCO5)c(OC)cc4cc23)c(Cl)cc1Cl
InChIInChI=1S/C26H26Cl2N4O4/c1-33-23-12-22(19(27)11-20(23)28)32-26-18-7-15-9-24(34-2)25(10-16(15)8-21(18)30-14-31-26)36-5-3-17-13-29-4-6-35-17/h7-12,14,17,29H,3-6,13H2,1-2H3,(H,30,31,32)
InChIKeyGUDINVFNBWYAKL-UHFFFAOYSA-N
XLogP5.61
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.42
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142675021
N-(3-chloro-1-benzofuran-7-yl)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-amine
CID 70004156
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-bromo-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 71573031
6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-bromo-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 71573152
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-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazolin-4-amine
CID 68519315
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine
CID 10050705

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine?
The IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine (CID 91020683) is N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine?
The canonical SMILES for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine is COc1cc(Nc2ncnc3cc4cc(OCCC5CNCCO5)c(OC)cc4cc23)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine?
The InChIKey is GUDINVFNBWYAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4/c1-33-23-12-22(19(27)11-20(23)28)32-26-18-7-15-9-24(34-2)25(10-16(15)8-21(18)30-14-31-26)36-5-3-17-13-29-4-6-35-17/h7-12,14,17,29H,3-6,13H2,1-2H3,(H,30,31,32).
What are the key properties of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine?
N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine has a molecular weight of 529.42 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine is sourced from PubChem (CID 91020683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).