N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide

C20H25N3O3 — CID 155544041

IUPACN-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1COC2
InChIInChI=1S/C20H25N3O3/c21-19-15(10-14-4-1-2-5-16(14)23-19)6-7-18(24)22-12-20-8-3-9-26-17(20)11-25-13-20/h1-2,4-5,10,17H,3,6-9,11-13H2,(H2,21,23)(H,22,24)/t17-,20-/m1/s1
InChIKeyCHBGCCTXAOMFAR-YLJYHZDGSA-N
MW355.44 g/mol
LogP2.06
Rot. Bonds5

About N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide

N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide (PubChem CID 155544041) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
PubChem CID155544041
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1COC2
InChIInChI=1S/C20H25N3O3/c21-19-15(10-14-4-1-2-5-16(14)23-19)6-7-18(24)22-12-20-8-3-9-26-17(20)11-25-13-20/h1-2,4-5,10,17H,3,6-9,11-13H2,(H2,21,23)(H,22,24)/t17-,20-/m1/s1
InChIKeyCHBGCCTXAOMFAR-YLJYHZDGSA-N
XLogP2.06
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide with MolForge

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Related Compounds

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CID 155542202
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CID 155547494
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CID 155547798
CID 155547798
CID 155560190
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CID 155567219
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CID 71854982

Frequently Asked Questions

What is the IUPAC name of N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The IUPAC name of N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide (CID 155544041) is N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide.
What is the SMILES notation for N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The canonical SMILES for N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide is Nc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1COC2.
What is the InChIKey of N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The InChIKey is CHBGCCTXAOMFAR-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-19-15(10-14-4-1-2-5-16(14)23-19)6-7-18(24)22-12-20-8-3-9-26-17(20)11-25-13-20/h1-2,4-5,10,17H,3,6-9,11-13H2,(H2,21,23)(H,22,24)/t17-,20-/m1/s1.
What are the key properties of N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aR,7aS)-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide is sourced from PubChem (CID 155544041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).