ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate

C27H36N2O6 — CID 139216893

IUPACditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate
SMILESCn1c(=O)c2c(c3ccccc31)OC(NC(C)(C)C)=C(C(=O)OC(C)(C)C)C2C(=O)OC(C)(C)C
InChIInChI=1S/C27H36N2O6/c1-25(2,3)28-21-19(24(32)35-27(7,8)9)17(23(31)34-26(4,5)6)18-20(33-21)15-13-11-12-14-16(15)29(10)22(18)30/h11-14,17,28H,1-10H3
InChIKeyWRCORFOWFBHKPM-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.30
Rot. Bonds3

About ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate

ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate (PubChem CID 139216893) has the molecular formula C27H36N2O6 and a molecular weight of 484.59 g/mol. Its IUPAC name is ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate
PubChem CID139216893
Molecular FormulaC27H36N2O6
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Nameditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate
SMILESCn1c(=O)c2c(c3ccccc31)OC(NC(C)(C)C)=C(C(=O)OC(C)(C)C)C2C(=O)OC(C)(C)C
InChIInChI=1S/C27H36N2O6/c1-25(2,3)28-21-19(24(32)35-27(7,8)9)17(23(31)34-26(4,5)6)18-20(33-21)15-13-11-12-14-16(15)29(10)22(18)30/h11-14,17,28H,1-10H3
InChIKeyWRCORFOWFBHKPM-UHFFFAOYSA-N
XLogP4.30
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

3,5-dimethyl-3H-furo[3,2-c]quinoline-2,4-dione
CID 13329306
3-O,4-O-ditert-butyl 5-O-methyl 2-(tert-butylamino)-6-(2-methoxy-2-oxoethyl)-4H-pyran-3,4,5-tricarboxylate
CID 135002523
(4R)-6-methyl-4-(2-methylphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 7425774
3-hydroxy-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one
CID 15329366
ethyl 2-amino-4-(2-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carboxylate
CID 139234202
4-(4-fluorophenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4911306
4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4910411
4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one
CID 102494073
6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4901306
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate
CID 102142991
(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate?
The IUPAC name of ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate (CID 139216893) is ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate is Cn1c(=O)c2c(c3ccccc31)OC(NC(C)(C)C)=C(C(=O)OC(C)(C)C)C2C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate?
The InChIKey is WRCORFOWFBHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O6/c1-25(2,3)28-21-19(24(32)35-27(7,8)9)17(23(31)34-26(4,5)6)18-20(33-21)15-13-11-12-14-16(15)29(10)22(18)30/h11-14,17,28H,1-10H3.
What are the key properties of ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate?
ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate has a molecular weight of 484.59 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-(tert-butylamino)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3,4-dicarboxylate is sourced from PubChem (CID 139216893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).