2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride

C16H14ClN3O2 — CID 22917769

IUPAC2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride
SMILESCl.[H]/N=c1\c(C=O)cc2cccnc2n1-c1ccc(OC)cc1
InChIInChI=1S/C16H13N3O2.ClH/c1-21-14-6-4-13(5-7-14)19-15(17)12(10-20)9-11-3-2-8-18-16(11)19;/h2-10,17H,1H3;1H/b17-15+;
InChIKeyPOWUPCWKHHWYDN-INTLEYBYSA-N
MW315.76 g/mol
LogP2.75
Rot. Bonds3

About 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride

2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride (PubChem CID 22917769) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride
PubChem CID22917769
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride
SMILESCl.[H]/N=c1\c(C=O)cc2cccnc2n1-c1ccc(OC)cc1
InChIInChI=1S/C16H13N3O2.ClH/c1-21-14-6-4-13(5-7-14)19-15(17)12(10-20)9-11-3-2-8-18-16(11)19;/h2-10,17H,1H3;1H/b17-15+;
InChIKeyPOWUPCWKHHWYDN-INTLEYBYSA-N
XLogP2.75
TPSA67.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride?
The IUPAC name of 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride (CID 22917769) is 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride is Cl.[H]/N=c1\c(C=O)cc2cccnc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride?
The InChIKey is POWUPCWKHHWYDN-INTLEYBYSA-N. The full InChI is InChI=1S/C16H13N3O2.ClH/c1-21-14-6-4-13(5-7-14)19-15(17)12(10-20)9-11-3-2-8-18-16(11)19;/h2-10,17H,1H3;1H/b17-15+;.
What are the key properties of 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride?
2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride has a molecular weight of 315.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 22917769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).