(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C25H27FN4O2 — CID 171400940

IUPAC(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C2CC2)nc1)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3
InChIInChI=1S/C25H27FN4O2/c1-13(2)30(11-15-4-7-21(28-10-15)16-5-6-16)25(31)18-8-17-19-12-32-14(3)23(19)24(27)29-22(17)9-20(18)26/h4,7-10,13-14,16H,5-6,11-12H2,1-3H3,(H2,27,29)/t14-/m1/s1
InChIKeyDIKUFVNAXOXRDG-CQSZACIVSA-N
MW434.52 g/mol
LogP4.87
Rot. Bonds5

About (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 171400940) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID171400940
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C2CC2)nc1)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3
InChIInChI=1S/C25H27FN4O2/c1-13(2)30(11-15-4-7-21(28-10-15)16-5-6-16)25(31)18-8-17-19-12-32-14(3)23(19)24(27)29-22(17)9-20(18)26/h4,7-10,13-14,16H,5-6,11-12H2,1-3H3,(H2,27,29)/t14-/m1/s1
InChIKeyDIKUFVNAXOXRDG-CQSZACIVSA-N
XLogP4.87
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 171400940) is (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(C)N(Cc1ccc(C2CC2)nc1)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3.
What is the InChIKey of (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is DIKUFVNAXOXRDG-CQSZACIVSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-13(2)30(11-15-4-7-21(28-10-15)16-5-6-16)25(31)18-8-17-19-12-32-14(3)23(19)24(27)29-22(17)9-20(18)26/h4,7-10,13-14,16H,5-6,11-12H2,1-3H3,(H2,27,29)/t14-/m1/s1.
What are the key properties of (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 171400940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).