2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol

C22H27N5O2 — CID 146343515

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol
SMILESCc1cc2c(cn1)C(O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H27N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15,22,28H,6-13H2,1H3
InChIKeyIFIJTDZCKINNSB-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.20
Rot. Bonds4

About 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol

2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol (PubChem CID 146343515) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol
PubChem CID146343515
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol
SMILESCc1cc2c(cn1)C(O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H27N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15,22,28H,6-13H2,1H3
InChIKeyIFIJTDZCKINNSB-UHFFFAOYSA-N
XLogP2.20
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-(4-methylpiperazin-1-yl)-1,2-benzoxazole
CID 21029567
3-[4-(3-phenylbutyl)piperazin-1-yl]-1,2-benzoxazole
CID 70968716
5-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-methyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 146344003
6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one
CID 146344656
3-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidine-2,4-dione
CID 13232481
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-4-ol
CID 146344648
3-[4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazin-1-yl]-1,2-benzoxazole
CID 11442128
2-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidine-4,5-dione
CID 88718547
4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 59252287
[3-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-4-methylphenyl]methanol
CID 22491422
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-4-fluorobenzenesulfonamide
CID 66801542
[(7S,9aR)-2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 57021051

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol (CID 146343515) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol is Cc1cc2c(cn1)C(O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol?
The InChIKey is IFIJTDZCKINNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15,22,28H,6-13H2,1H3.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol?
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol has a molecular weight of 393.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol is sourced from PubChem (CID 146343515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).