4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide

C23H22N4O3 — CID 70691698

IUPAC4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
SMILESCOc1cc2c(NCc3ccccc3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C23H22N4O3/c1-13-21(14(2)30-27-13)17-9-19-16(10-20(17)29-3)22(18(12-25-19)23(24)28)26-11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,24,28)(H,25,26)
InChIKeyVCRMDHVRVRZNLO-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.23
Rot. Bonds6

About 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide

4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide (PubChem CID 70691698) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
PubChem CID70691698
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
SMILESCOc1cc2c(NCc3ccccc3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C23H22N4O3/c1-13-21(14(2)30-27-13)17-9-19-16(10-20(17)29-3)22(18(12-25-19)23(24)28)26-11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,24,28)(H,25,26)
InChIKeyVCRMDHVRVRZNLO-UHFFFAOYSA-N
XLogP4.23
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
CID 122705107
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
CID 145190462
methyl 4-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-7-carboxylate
CID 121334128
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
4-N-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446120
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446103
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide
CID 156547102

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide (CID 70691698) is 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide is COc1cc2c(NCc3ccccc3)c(C(N)=O)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide?
The InChIKey is VCRMDHVRVRZNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-21(14(2)30-27-13)17-9-19-16(10-20(17)29-3)22(18(12-25-19)23(24)28)26-11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,24,28)(H,25,26).
What are the key properties of 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide?
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 70691698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).