7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one

C25H24N4O3 — CID 157300098

IUPAC7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one
SMILESC=CC(=O)N1CCN(c2ccnc3c2CC(=O)N(c2cc(O)cc4ccccc24)C3)CC1
InChIInChI=1S/C25H24N4O3/c1-2-24(31)28-11-9-27(10-12-28)22-7-8-26-21-16-29(25(32)15-20(21)22)23-14-18(30)13-17-5-3-4-6-19(17)23/h2-8,13-14,30H,1,9-12,15-16H2
InChIKeyXMFMCQIHYUTTFA-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.86
Rot. Bonds3

About 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one

7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one (PubChem CID 157300098) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one.

Molecular Properties

Compound Name7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one
PubChem CID157300098
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one
SMILESC=CC(=O)N1CCN(c2ccnc3c2CC(=O)N(c2cc(O)cc4ccccc24)C3)CC1
InChIInChI=1S/C25H24N4O3/c1-2-24(31)28-11-9-27(10-12-28)22-7-8-26-21-16-29(25(32)15-20(21)22)23-14-18(30)13-17-5-3-4-6-19(17)23/h2-8,13-14,30H,1,9-12,15-16H2
InChIKeyXMFMCQIHYUTTFA-UHFFFAOYSA-N
XLogP2.86
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one?
The IUPAC name of 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one (CID 157300098) is 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one.
What is the SMILES notation for 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one?
The canonical SMILES for 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one is C=CC(=O)N1CCN(c2ccnc3c2CC(=O)N(c2cc(O)cc4ccccc24)C3)CC1.
What is the InChIKey of 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one?
The InChIKey is XMFMCQIHYUTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-24(31)28-11-9-27(10-12-28)22-7-8-26-21-16-29(25(32)15-20(21)22)23-14-18(30)13-17-5-3-4-6-19(17)23/h2-8,13-14,30H,1,9-12,15-16H2.
What are the key properties of 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one?
7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one has a molecular weight of 428.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,8-dihydro-1,7-naphthyridin-6-one is sourced from PubChem (CID 157300098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).