N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C18H18N4O3 — CID 74239713

IUPACN,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(c1cnc2c(c1)CCCC2)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C18H18N4O3/c23-18(14-5-13-3-1-2-4-17(13)19-6-14)22(7-15-9-24-11-20-15)8-16-10-25-12-21-16/h5-6,9-12H,1-4,7-8H2
InChIKeyJAFNBCFKUKULFU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.78
Rot. Bonds5

About N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 74239713) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID74239713
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(c1cnc2c(c1)CCCC2)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C18H18N4O3/c23-18(14-5-13-3-1-2-4-17(13)19-6-14)22(7-15-9-24-11-20-15)8-16-10-25-12-21-16/h5-6,9-12H,1-4,7-8H2
InChIKeyJAFNBCFKUKULFU-UHFFFAOYSA-N
XLogP2.78
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 74239713) is N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is O=C(c1cnc2c(c1)CCCC2)N(Cc1cocn1)Cc1cocn1.
What is the InChIKey of N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JAFNBCFKUKULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-18(14-5-13-3-1-2-4-17(13)19-6-14)22(7-15-9-24-11-20-15)8-16-10-25-12-21-16/h5-6,9-12H,1-4,7-8H2.
What are the key properties of N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-oxazol-4-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 74239713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).