6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine

C22H27N5O3 — CID 56557143

IUPAC6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(NCc3cccc(CN4CCOCC4)c3)nc(N)c2cc1OC
InChIInChI=1S/C22H27N5O3/c1-28-19-11-17-18(12-20(19)29-2)25-22(26-21(17)23)24-13-15-4-3-5-16(10-15)14-27-6-8-30-9-7-27/h3-5,10-12H,6-9,13-14H2,1-2H3,(H3,23,24,25,26)
InChIKeyHYVINBWNZGFYDU-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.67
Rot. Bonds7

About 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine

6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine (PubChem CID 56557143) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
PubChem CID56557143
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(NCc3cccc(CN4CCOCC4)c3)nc(N)c2cc1OC
InChIInChI=1S/C22H27N5O3/c1-28-19-11-17-18(12-20(19)29-2)25-22(26-21(17)23)24-13-15-4-3-5-16(10-15)14-27-6-8-30-9-7-27/h3-5,10-12H,6-9,13-14H2,1-2H3,(H3,23,24,25,26)
InChIKeyHYVINBWNZGFYDU-UHFFFAOYSA-N
XLogP2.67
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 122149353
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
2-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 133298545
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 133316627
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
6,7-dimethoxy-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]quinazoline-2,4-diamine
CID 133355275

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine (CID 56557143) is 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine is COc1cc2nc(NCc3cccc(CN4CCOCC4)c3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The InChIKey is HYVINBWNZGFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-28-19-11-17-18(12-20(19)29-2)25-22(26-21(17)23)24-13-15-4-3-5-16(10-15)14-27-6-8-30-9-7-27/h3-5,10-12H,6-9,13-14H2,1-2H3,(H3,23,24,25,26).
What are the key properties of 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine has a molecular weight of 409.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 56557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).