2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde

C23H21ClN4O3 — CID 174342549

IUPAC2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccccc2C(C(=O)N2CCC(O)CC2)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(13-29)16-3-1-2-4-17(16)21(28)23(31)27-11-9-15(30)10-12-27/h1-8,13,15,18,21,30H,9-12H2
InChIKeySWTZMIVLFMIWSO-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.07
Rot. Bonds3

About 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde

2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174342549) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174342549
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccccc2C(C(=O)N2CCC(O)CC2)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(13-29)16-3-1-2-4-17(16)21(28)23(31)27-11-9-15(30)10-12-27/h1-8,13,15,18,21,30H,9-12H2
InChIKeySWTZMIVLFMIWSO-UHFFFAOYSA-N
XLogP3.07
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde (CID 174342549) is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2ccccc2C(C(=O)N2CCC(O)CC2)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is SWTZMIVLFMIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(13-29)16-3-1-2-4-17(16)21(28)23(31)27-11-9-15(30)10-12-27/h1-8,13,15,18,21,30H,9-12H2.
What are the key properties of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde?
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 436.90 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174342549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).