1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C19H23ClN4O3 — CID 71590349

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1Cl
InChIInChI=1S/C19H23ClN4O3/c1-26-16-11-17(27-2)15(10-14(16)20)24-19(25)22-9-7-13-6-5-12-4-3-8-21-18(12)23-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,21,23)(H2,22,24,25)
InChIKeyAPNHDUNMDZMPSC-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.47
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590349) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID71590349
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1Cl
InChIInChI=1S/C19H23ClN4O3/c1-26-16-11-17(27-2)15(10-14(16)20)24-19(25)22-9-7-13-6-5-12-4-3-8-21-18(12)23-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,21,23)(H2,22,24,25)
InChIKeyAPNHDUNMDZMPSC-UHFFFAOYSA-N
XLogP3.47
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590349) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is COc1cc(OC)c(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is APNHDUNMDZMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-26-16-11-17(27-2)15(10-14(16)20)24-19(25)22-9-7-13-6-5-12-4-3-8-21-18(12)23-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,21,23)(H2,22,24,25).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 390.87 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).