4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C20H16Cl2N4O3 — CID 164867468

IUPAC4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@H]1COc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H16Cl2N4O3/c1-26(17-8-29-18-4-14(22)13(21)2-10(17)18)20(27)15-3-9-11-6-28-7-12(11)19(23)25-16(9)5-24-15/h2-5,17H,6-8H2,1H3,(H2,23,25)/t17-/m0/s1
InChIKeyZAGQPCSTCRXTHC-KRWDZBQOSA-N
MW431.28 g/mol
LogP3.75
Rot. Bonds2

About 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 164867468) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID164867468
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@H]1COc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H16Cl2N4O3/c1-26(17-8-29-18-4-14(22)13(21)2-10(17)18)20(27)15-3-9-11-6-28-7-12(11)19(23)25-16(9)5-24-15/h2-5,17H,6-8H2,1H3,(H2,23,25)/t17-/m0/s1
InChIKeyZAGQPCSTCRXTHC-KRWDZBQOSA-N
XLogP3.75
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 164867468) is 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is CN(C(=O)c1cc2c3c(c(N)nc2cn1)COC3)[C@H]1COc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is ZAGQPCSTCRXTHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c1-26(17-8-29-18-4-14(22)13(21)2-10(17)18)20(27)15-3-9-11-6-28-7-12(11)19(23)25-16(9)5-24-15/h2-5,17H,6-8H2,1H3,(H2,23,25)/t17-/m0/s1.
What are the key properties of 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 164867468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).