N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

C20H21BrClN3O4 — CID 141376740

IUPACN-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2nc(Cl)nc(Nc3cccc(Br)c3)c2cc1OCCOC
InChIInChI=1S/C20H21BrClN3O4/c1-26-6-8-28-17-11-15-16(12-18(17)29-9-7-27-2)24-20(22)25-19(15)23-14-5-3-4-13(21)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,23,24,25)
InChIKeyMKWFVJFWRIBMLB-UHFFFAOYSA-N
MW482.76 g/mol
LogP4.84
Rot. Bonds10

About N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 141376740) has the molecular formula C20H21BrClN3O4 and a molecular weight of 482.76 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
PubChem CID141376740
Molecular FormulaC20H21BrClN3O4
Molecular Weight482.76 g/mol
Exact Mass481.04
IUPAC NameN-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2nc(Cl)nc(Nc3cccc(Br)c3)c2cc1OCCOC
InChIInChI=1S/C20H21BrClN3O4/c1-26-6-8-28-17-11-15-16(12-18(17)29-9-7-27-2)24-20(22)25-19(15)23-14-5-3-4-13(21)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,23,24,25)
InChIKeyMKWFVJFWRIBMLB-UHFFFAOYSA-N
XLogP4.84
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 22693255
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
2-bromo-N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine;hydrochloride
CID 175765223
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine (CID 141376740) is N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine is COCCOc1cc2nc(Cl)nc(Nc3cccc(Br)c3)c2cc1OCCOC.
What is the InChIKey of N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is MKWFVJFWRIBMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClN3O4/c1-26-6-8-28-17-11-15-16(12-18(17)29-9-7-27-2)24-20(22)25-19(15)23-14-5-3-4-13(21)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,23,24,25).
What are the key properties of N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 482.76 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 141376740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).