(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate

C18H21N5O3 — CID 18123694

IUPAC(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCCCCn1nnnc1COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C18H21N5O3/c1-4-5-8-23-17(20-21-22-23)11-26-18(24)15-9-13-6-7-14(25-3)10-16(13)19-12(15)2/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyOAJPZHNNTLITQF-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.70
Rot. Bonds7

About (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate

(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 18123694) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID18123694
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCCCCn1nnnc1COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C18H21N5O3/c1-4-5-8-23-17(20-21-22-23)11-26-18(24)15-9-13-6-7-14(25-3)10-16(13)19-12(15)2/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyOAJPZHNNTLITQF-UHFFFAOYSA-N
XLogP2.70
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-butyltetrazol-5-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55999037
(1-butyltetrazol-5-yl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55563378
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18147585
pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18139891
(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8628062
(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
CID 55390145
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-butyltetrazol-5-yl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7608080
(1-butyltetrazol-5-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 35283063
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate (CID 18123694) is (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate is CCCCn1nnnc1COC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is OAJPZHNNTLITQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-5-8-23-17(20-21-22-23)11-26-18(24)15-9-13-6-7-14(25-3)10-16(13)19-12(15)2/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 18123694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).