ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate

C27H25N7O4 — CID 118710987

IUPACethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C1c1cc2cc(OC)ccc2n2nnnc12
InChIInChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3
InChIKeyMXEAILACTROCRJ-UHFFFAOYSA-N
MW511.54 g/mol
LogP3.03
Rot. Bonds5

About ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 118710987) has the molecular formula C27H25N7O4 and a molecular weight of 511.54 g/mol. Its IUPAC name is ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID118710987
Molecular FormulaC27H25N7O4
Molecular Weight511.54 g/mol
Exact Mass511.20
IUPAC Nameethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C1c1cc2cc(OC)ccc2n2nnnc12
InChIInChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3
InChIKeyMXEAILACTROCRJ-UHFFFAOYSA-N
XLogP3.03
TPSA137.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate (CID 118710987) is ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C1c1cc2cc(OC)ccc2n2nnnc12.
What is the InChIKey of ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is MXEAILACTROCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 511.54 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 118710987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).