4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol

C25H24N4O — CID 42645956

IUPAC4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol
SMILESOc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C25H24N4O/c30-22-7-5-18(6-8-22)10-13-29-14-11-23-20(17-29)9-12-26-25(23)28-21-15-19-3-1-2-4-24(19)27-16-21/h1-9,12,15-16,30H,10-11,13-14,17H2,(H,26,28)
InChIKeyKTNXEOHLLDTQPN-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.68
Rot. Bonds5

About 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol

4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol (PubChem CID 42645956) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol
PubChem CID42645956
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol
SMILESOc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C25H24N4O/c30-22-7-5-18(6-8-22)10-13-29-14-11-23-20(17-29)9-12-26-25(23)28-21-15-19-3-1-2-4-24(19)27-16-21/h1-9,12,15-16,30H,10-11,13-14,17H2,(H,26,28)
InChIKeyKTNXEOHLLDTQPN-UHFFFAOYSA-N
XLogP4.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol (CID 42645956) is 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol is Oc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1.
What is the InChIKey of 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol?
The InChIKey is KTNXEOHLLDTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-22-7-5-18(6-8-22)10-13-29-14-11-23-20(17-29)9-12-26-25(23)28-21-15-19-3-1-2-4-24(19)27-16-21/h1-9,12,15-16,30H,10-11,13-14,17H2,(H,26,28).
What are the key properties of 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol?
4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol has a molecular weight of 396.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]phenol is sourced from PubChem (CID 42645956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).