(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H23N5O2 — CID 174220402

IUPAC(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCCN(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C23H23N5O2/c1-3-8-28(12-17-6-4-15(10-24)11-26-17)23(29)16-5-7-20-18(9-16)19-13-30-14(2)21(19)22(25)27-20/h4-7,9,11,14H,3,8,12-13H2,1-2H3,(H2,25,27)/t14-/m1/s1
InChIKeyCKDNRFAWFJAOLD-CQSZACIVSA-N
MW401.47 g/mol
LogP3.73
Rot. Bonds5

About (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 174220402) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID174220402
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCCN(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C23H23N5O2/c1-3-8-28(12-17-6-4-15(10-24)11-26-17)23(29)16-5-7-20-18(9-16)19-13-30-14(2)21(19)22(25)27-20/h4-7,9,11,14H,3,8,12-13H2,1-2H3,(H2,25,27)/t14-/m1/s1
InChIKeyCKDNRFAWFJAOLD-CQSZACIVSA-N
XLogP3.73
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 174220402) is (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCCN(Cc1ccc(C#N)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C.
What is the InChIKey of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is CKDNRFAWFJAOLD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-8-28(12-17-6-4-15(10-24)11-26-17)23(29)16-5-7-20-18(9-16)19-13-30-14(2)21(19)22(25)27-20/h4-7,9,11,14H,3,8,12-13H2,1-2H3,(H2,25,27)/t14-/m1/s1.
What are the key properties of (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 174220402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).