3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one

C26H33N7O3 — CID 649050

IUPAC3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H33N7O3/c1-3-24(25-28-29-30-33(25)18-22-5-4-12-36-22)32(9-8-31-10-13-35-14-11-31)17-21-16-20-15-19(2)6-7-23(20)27-26(21)34/h4-7,12,15-16,24H,3,8-11,13-14,17-18H2,1-2H3,(H,27,34)
InChIKeyHULVQJORACSXAQ-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.75
Rot. Bonds10

About 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one

3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 649050) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID649050
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H33N7O3/c1-3-24(25-28-29-30-33(25)18-22-5-4-12-36-22)32(9-8-31-10-13-35-14-11-31)17-21-16-20-15-19(2)6-7-23(20)27-26(21)34/h4-7,12,15-16,24H,3,8-11,13-14,17-18H2,1-2H3,(H,27,34)
InChIKeyHULVQJORACSXAQ-UHFFFAOYSA-N
XLogP2.75
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 649050) is 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is CCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is HULVQJORACSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-3-24(25-28-29-30-33(25)18-22-5-4-12-36-22)32(9-8-31-10-13-35-14-11-31)17-21-16-20-15-19(2)6-7-23(20)27-26(21)34/h4-7,12,15-16,24H,3,8-11,13-14,17-18H2,1-2H3,(H,27,34).
What are the key properties of 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 491.60 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-morpholin-4-ylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 649050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).