7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one

C23H29N5O5 — CID 135686301

IUPAC7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one
SMILESCOCCNc1ccc2c(n1)CCN(c1nc3cc(OC)cc(OCCOC)c3c(=O)[nH]1)C2
InChIInChI=1S/C23H29N5O5/c1-30-9-7-24-20-5-4-15-14-28(8-6-17(15)25-20)23-26-18-12-16(32-3)13-19(33-11-10-31-2)21(18)22(29)27-23/h4-5,12-13H,6-11,14H2,1-3H3,(H,24,25)(H,26,27,29)
InChIKeyRVCALHDUBJSDGF-UHFFFAOYSA-N
MW455.52 g/mol
LogP1.97
Rot. Bonds10

About 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one

7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one (PubChem CID 135686301) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one
PubChem CID135686301
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one
SMILESCOCCNc1ccc2c(n1)CCN(c1nc3cc(OC)cc(OCCOC)c3c(=O)[nH]1)C2
InChIInChI=1S/C23H29N5O5/c1-30-9-7-24-20-5-4-15-14-28(8-6-17(15)25-20)23-26-18-12-16(32-3)13-19(33-11-10-31-2)21(18)22(29)27-23/h4-5,12-13H,6-11,14H2,1-3H3,(H,24,25)(H,26,27,29)
InChIKeyRVCALHDUBJSDGF-UHFFFAOYSA-N
XLogP1.97
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one (CID 135686301) is 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one is COCCNc1ccc2c(n1)CCN(c1nc3cc(OC)cc(OCCOC)c3c(=O)[nH]1)C2.
What is the InChIKey of 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one?
The InChIKey is RVCALHDUBJSDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-30-9-7-24-20-5-4-15-14-28(8-6-17(15)25-20)23-26-18-12-16(32-3)13-19(33-11-10-31-2)21(18)22(29)27-23/h4-5,12-13H,6-11,14H2,1-3H3,(H,24,25)(H,26,27,29).
What are the key properties of 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one?
7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one has a molecular weight of 455.52 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(2-methoxyethoxy)-2-[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135686301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).