N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine

C21H23BrN4O3 — CID 142674982

IUPACN-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Br)c(C)c3)c2cc1OCC1CNCCO1
InChIInChI=1S/C21H23BrN4O3/c1-13-7-14(3-4-17(13)22)26-21-16-8-20(29-11-15-10-23-5-6-28-15)19(27-2)9-18(16)24-12-25-21/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)
InChIKeyVTJMUMQOSFFJIM-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.82
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine

N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 142674982) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
PubChem CID142674982
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC NameN-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Br)c(C)c3)c2cc1OCC1CNCCO1
InChIInChI=1S/C21H23BrN4O3/c1-13-7-14(3-4-17(13)22)26-21-16-8-20(29-11-15-10-23-5-6-28-15)19(27-2)9-18(16)24-12-25-21/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)
InChIKeyVTJMUMQOSFFJIM-UHFFFAOYSA-N
XLogP3.82
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142675021
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[(8aR)-1,3,5,6,8,8a-hexahydro-[1,3]thiazolo[4,3-c][1,4]oxazin-6-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 58013770
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
CID 142852302
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70989067
4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
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-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine
CID 91020683
7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852602
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine (CID 142674982) is N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Br)c(C)c3)c2cc1OCC1CNCCO1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is VTJMUMQOSFFJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-13-7-14(3-4-17(13)22)26-21-16-8-20(29-11-15-10-23-5-6-28-15)19(27-2)9-18(16)24-12-25-21/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 459.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 142674982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).