(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol

C21H24N4O — CID 42646207

IUPAC(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol
SMILESC[C@@H](CO)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H24N4O/c1-15(14-26)12-25-9-7-19-17(13-25)6-8-22-21(19)24-18-10-16-4-2-3-5-20(16)23-11-18/h2-6,8,10-11,15,26H,7,9,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGZINSYUAEHCGOD-OAHLLOKOSA-N
MW348.45 g/mol
LogP3.36
Rot. Bonds5

About (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol

(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol (PubChem CID 42646207) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol
PubChem CID42646207
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol
SMILESC[C@@H](CO)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H24N4O/c1-15(14-26)12-25-9-7-19-17(13-25)6-8-22-21(19)24-18-10-16-4-2-3-5-20(16)23-11-18/h2-6,8,10-11,15,26H,7,9,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGZINSYUAEHCGOD-OAHLLOKOSA-N
XLogP3.36
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol (CID 42646207) is (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol is C[C@@H](CO)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol?
The InChIKey is GZINSYUAEHCGOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(14-26)12-25-9-7-19-17(13-25)6-8-22-21(19)24-18-10-16-4-2-3-5-20(16)23-11-18/h2-6,8,10-11,15,26H,7,9,12-14H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol?
(2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]propan-1-ol is sourced from PubChem (CID 42646207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).