N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine

C23H27ClN4O2 — CID 45165861

IUPACN-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2nc(N3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C23H27ClN4O2/c1-16(17-4-7-19(29-3)8-5-17)27(2)15-22-25-21-14-18(24)6-9-20(21)23(26-22)28-10-12-30-13-11-28/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyZPHJUQGIQVMLCG-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.32
Rot. Bonds6

About N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine

N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 45165861) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID45165861
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2nc(N3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C23H27ClN4O2/c1-16(17-4-7-19(29-3)8-5-17)27(2)15-22-25-21-14-18(24)6-9-20(21)23(26-22)28-10-12-30-13-11-28/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyZPHJUQGIQVMLCG-UHFFFAOYSA-N
XLogP4.32
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine with MolForge

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Related Compounds

[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126464600
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
3-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-5-methoxyaniline
CID 81144884
7-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)quinazoline
CID 42809161
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
4-[7-chloro-2-[4-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 118237190
4-[6-chloro-5-methoxy-2-(2-methoxyethyl)pyrimidin-4-yl]morpholine
CID 170520811
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
4-[5-[4-chloro-6-(4-methoxyphenyl)-2-pyridinyl]-1,3-thiazol-2-yl]morpholine
CID 171470169

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine (CID 45165861) is N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine is COc1ccc(C(C)N(C)Cc2nc(N3CCOCC3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is ZPHJUQGIQVMLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-16(17-4-7-19(29-3)8-5-17)27(2)15-22-25-21-14-18(24)6-9-20(21)23(26-22)28-10-12-30-13-11-28/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 426.95 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 45165861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).