methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate

C21H18N2O4 — CID 138961544

IUPACmethyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(OC)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-8-5-12(6-9-14)16-15-10-7-13-4-3-11-23-18(13)19(15)27-20(22)17(16)21(24)26-2/h3-11,16H,22H2,1-2H3
InChIKeyUPYYEGRANDWUHI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.11
Rot. Bonds3

About methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate

methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate (PubChem CID 138961544) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate
PubChem CID138961544
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namemethyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(OC)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-8-5-12(6-9-14)16-15-10-7-13-4-3-11-23-18(13)19(15)27-20(22)17(16)21(24)26-2/h3-11,16H,22H2,1-2H3
InChIKeyUPYYEGRANDWUHI-UHFFFAOYSA-N
XLogP3.11
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

11-(4-methoxyphenyl)-18-oxa-3,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),15-heptaen-13-one
CID 50908606
(4S)-2-amino-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 40527938
3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023836
methyl 2-amino-4-(2,4-dichlorophenyl)-4H-benzo[h]chromene-3-carboxylate
CID 3725314
methyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 679293
ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
CID 3326186
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
methyl 4-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)oxybenzoate
CID 22544875

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate (CID 138961544) is methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate is COC(=O)C1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(OC)cc1.
What is the InChIKey of methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate?
The InChIKey is UPYYEGRANDWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-14-8-5-12(6-9-14)16-15-10-7-13-4-3-11-23-18(13)19(15)27-20(22)17(16)21(24)26-2/h3-11,16H,22H2,1-2H3.
What are the key properties of methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate?
methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carboxylate is sourced from PubChem (CID 138961544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).